#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1twh n GLU 19 N 0.00 0.00 -2.53 3.97 4.71 -1.26 -5.01 120.64 120.52 1twh n GLU 19 Ca 0.00 0.49 -0.38 0.00 -0.01 0.00 0.00 57.16 57.26 1twh n GLU 19 Cb 0.00 -0.92 -0.04 0.00 -1.01 0.00 0.00 31.44 29.46 1twh n GLU 19 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1twh s ASP 20 N 0.00 7.04 0.00 1.62 2.15 -1.26 -4.81 116.67 121.41 1twh s ASP 20 Ca 0.00 2.13 0.23 0.00 0.43 0.00 0.00 52.55 55.34 1twh s ASP 20 Cb 0.00 -2.60 1.09 0.00 -0.30 0.00 0.00 42.92 41.11 1twh s ASP 20 CO 0.00 -0.29 1.74 -1.84 -0.17 0.00 0.00 175.17 174.61 1twh n GLU 21 N 0.58 0.22 -0.14 4.34 0.28 -1.26 -1.99 120.64 122.67 1twh n GLU 21 Ca 0.02 0.08 0.04 0.00 -0.16 0.00 0.00 57.16 57.15 1twh n GLU 21 Cb 0.47 -1.50 0.11 0.00 1.43 0.00 0.00 31.44 31.95 1twh n GLU 21 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1twh n SER 22 N -1.36 2.67 -4.85 -1.84 7.64 -1.26 -1.23 113.62 113.39 1twh n SER 22 Ca 0.09 -2.20 -0.31 0.00 1.01 0.00 0.00 58.87 57.46 1twh n SER 22 Cb 0.21 -0.20 0.04 0.00 -1.01 0.00 0.00 64.21 63.25 1twh n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1twh s ALA 23 N -1.35 2.84 0.46 -0.43 0.00 -0.84 -4.81 121.76 117.63 1twh s ALA 23 Ca 0.18 -0.06 -0.16 0.00 0.00 0.00 0.00 51.96 51.93 1twh s ALA 23 Cb 0.12 -3.11 -0.08 0.00 0.00 0.00 0.00 23.12 20.04 1twh s ALA 23 CO 0.09 -1.03 0.90 -2.14 0.00 0.00 0.00 175.76 173.58 1twh s PRO 24 N -5.14 3.96 0.51 0.00 0.02 -1.26 -0.79 135.00 132.30 1twh s PRO 24 Ca 0.57 0.84 -0.05 0.00 0.02 0.00 0.00 61.00 62.38 1twh s PRO 24 Cb -0.12 -2.23 -0.02 0.00 0.02 0.00 0.00 34.50 32.15 1twh s PRO 24 CO 0.54 -0.13 0.81 0.96 -0.33 0.00 0.00 177.00 178.84 1twh s ILE 25 N -2.43 4.42 0.45 2.83 -0.00 -1.26 -4.57 121.20 120.64 1twh s ILE 25 Ca 0.57 0.05 0.04 0.00 -0.00 0.00 0.00 60.65 61.32 1twh s ILE 25 Cb -0.10 -3.70 -0.05 0.00 -0.00 0.00 0.00 42.46 38.61 1twh s ILE 25 CO 0.27 -0.67 0.01 0.42 -0.00 0.00 0.00 174.94 174.97 1twh s THR 26 N -2.79 1.60 0.29 8.37 -4.23 -1.26 -4.89 115.64 112.72 1twh s THR 26 Ca 0.49 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.03 1twh s THR 26 Cb -0.10 -2.64 0.30 0.00 1.34 0.00 0.00 72.50 71.39 1twh s THR 26 CO 0.44 0.00 1.66 0.00 -0.54 0.00 0.00 174.62 176.18 1twh h ALA 27 N 1.62 1.31 -0.39 3.99 0.00 -1.98 2.20 119.26 126.01 1twh h ALA 27 Ca -0.44 0.20 0.11 0.00 0.00 0.00 0.00 54.91 54.79 1twh h ALA 27 Cb 1.27 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1twh h ALA 27 CO 0.77 -0.43 0.34 1.49 0.00 0.00 0.00 179.25 181.43 1twh h GLU 28 N 0.27 0.00 0.00 0.00 4.57 -1.99 -1.55 114.58 115.88 1twh h GLU 28 Ca 0.55 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.73 1twh h GLU 28 Cb 1.08 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 1twh h GLU 28 CO -0.61 0.00 0.00 -0.25 -1.18 0.00 0.00 179.01 176.97 1twh n ASP 29 N -4.06 0.53 -0.24 1.04 8.00 0.74 -3.28 116.55 119.29 1twh n ASP 29 Ca 0.07 0.60 -0.06 0.00 0.71 0.00 0.00 54.79 56.11 1twh n ASP 29 Cb 0.52 -0.73 0.05 0.00 -0.02 0.00 0.00 41.12 40.94 1twh n ASP 29 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1twh h SER 30 N 0.00 0.78 0.00 -2.24 0.02 -1.34 -0.86 113.55 109.90 1twh h SER 30 Ca 0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1twh h SER 30 Cb 0.44 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1twh h SER 30 CO 0.00 0.58 0.32 -0.50 -1.14 0.00 0.00 176.83 176.09 1twh h TRP 31 N 0.90 0.00 0.20 3.45 4.06 -1.75 -0.53 115.95 122.28 1twh h TRP 31 Ca 0.24 0.00 -0.31 0.00 2.06 0.00 0.00 58.89 60.88 1twh h TRP 31 Cb -0.07 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.11 1twh h TRP 31 CO -0.02 0.00 -1.39 0.00 -3.56 0.00 0.00 178.44 173.47 1twh h ALA 32 N 1.22 -0.05 -0.29 1.49 0.00 -1.33 -1.45 119.26 118.85 1twh h ALA 32 Ca 0.00 -0.88 -0.12 0.00 0.00 0.00 0.00 54.91 53.91 1twh h ALA 32 Cb 0.63 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1twh h ALA 32 CO 0.00 0.82 -0.33 0.28 0.00 0.00 0.00 179.25 180.02 1twh h VAL 33 N 0.12 1.28 0.06 0.00 2.07 -1.06 -2.48 116.25 116.24 1twh h VAL 33 Ca -0.21 -1.46 -0.00 0.00 0.82 0.00 0.00 66.70 65.85 1twh h VAL 33 Cb 2.09 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 33.28 1twh h VAL 33 CO 0.24 0.47 -0.03 0.40 0.02 0.00 0.00 177.57 178.68 1twh h ILE 34 N 0.54 1.09 -1.01 4.57 2.04 -1.30 -2.66 117.51 120.79 1twh h ILE 34 Ca 0.06 -0.49 0.23 0.00 1.00 0.00 0.00 64.86 65.65 1twh h ILE 34 Cb 0.83 1.42 -0.11 0.00 -0.74 0.00 0.00 36.82 38.22 1twh h ILE 34 CO 0.07 0.12 0.62 0.28 0.00 0.00 0.00 178.15 179.24 1twh h SER 35 N -0.30 0.66 -0.14 1.72 0.02 -1.28 0.32 113.55 114.55 1twh h SER 35 Ca -0.01 0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 60.97 1twh h SER 35 Cb 0.26 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 1twh h SER 35 CO 0.01 0.16 -0.16 0.00 -1.14 0.00 0.00 176.83 175.71 1twh h ALA 36 N 1.68 1.17 -0.18 3.77 0.00 -1.14 0.57 119.26 125.12 1twh h ALA 36 Ca 0.61 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 55.08 1twh h ALA 36 Cb 1.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1twh h ALA 36 CO -0.40 0.53 -0.48 0.35 0.00 0.00 0.00 179.25 179.25 1twh h PHE 37 N 0.48 0.59 0.00 0.00 3.57 -0.11 -2.54 116.94 118.93 1twh h PHE 37 Ca 0.08 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.39 1twh h PHE 37 Cb 0.56 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1twh h PHE 37 CO 0.02 0.87 -0.94 1.19 -2.23 0.00 0.00 178.31 177.22 1twh n PHE 38 N -3.98 0.48 -0.23 0.41 0.99 -0.38 -0.71 117.46 114.03 1twh n PHE 38 Ca -0.02 0.14 -0.04 0.00 -0.00 0.00 0.00 57.45 57.53 1twh n PHE 38 Cb 0.56 -0.61 0.14 0.00 -1.00 0.00 0.00 39.48 38.57 1twh n PHE 38 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1twh h ARG 39 N 0.00 1.05 0.25 -1.08 3.08 -0.64 0.15 114.38 117.18 1twh h ARG 39 Ca 0.00 -0.17 -0.34 0.00 0.07 0.00 0.00 59.98 59.54 1twh h ARG 39 Cb 0.80 -0.18 0.03 0.00 0.08 0.00 0.00 29.97 30.70 1twh h ARG 39 CO 0.00 0.84 -1.52 1.49 -1.07 0.00 0.00 179.97 179.71 1twh h GLU 40 N 1.03 0.52 0.00 0.04 4.81 -1.23 -3.37 114.58 116.38 1twh h GLU 40 Ca 0.24 -0.89 -0.15 0.00 -0.13 0.00 0.00 59.36 58.43 1twh h GLU 40 Cb 0.17 0.33 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 1twh h GLU 40 CO -0.02 1.42 -2.04 1.63 -0.73 0.00 0.00 179.01 179.27 1twh n LYS 41 N -3.69 0.82 0.00 1.92 5.02 0.11 -5.11 118.16 117.23 1twh n LYS 41 Ca -0.18 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.01 1twh n LYS 41 Cb 1.10 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.66 1twh n LYS 41 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1twh n GLY 42 N 1.65 0.19 0.30 0.72 0.00 0.49 -3.95 105.19 104.58 1twh n GLY 42 Ca -0.15 -0.66 0.13 0.00 0.00 0.00 0.00 46.02 45.33 1twh n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1twh n LEU 43 N 0.00 1.17 -2.82 0.99 4.77 -1.26 -4.36 117.00 115.48 1twh n LEU 43 Ca 0.00 -0.33 -0.01 0.00 -0.03 0.00 0.00 56.01 55.64 1twh n LEU 43 Cb 0.00 -0.10 0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1twh n LEU 43 CO 0.00 0.21 -0.01 1.33 -1.33 0.00 0.00 177.39 177.59 1twh n VAL 44 N -0.49 1.27 0.26 4.08 0.24 -1.26 -4.85 118.33 117.57 1twh n VAL 44 Ca 0.13 -2.94 0.10 0.00 -2.04 0.00 0.00 64.34 59.59 1twh n VAL 44 Cb 0.36 1.25 0.68 0.00 -1.47 0.00 0.00 33.84 34.66 1twh n VAL 44 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1twh h SER 45 N 2.63 0.00 -0.64 -1.34 4.64 -1.76 -0.46 113.55 116.62 1twh h SER 45 Ca -0.13 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.27 1twh h SER 45 Cb 1.27 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.29 1twh h SER 45 CO 0.20 0.08 0.30 0.06 -0.87 0.00 0.00 176.83 176.61 1twh h GLN 46 N 0.00 0.52 0.14 4.77 3.07 -1.91 0.25 115.11 121.95 1twh h GLN 46 Ca -0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.70 1twh h GLN 46 Cb 0.16 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 27.60 1twh h GLN 46 CO 0.01 0.35 -0.07 1.96 0.09 0.00 0.00 178.83 181.17 1twh h GLN 47 N 0.54 -0.18 -0.41 0.06 1.08 -1.40 -3.07 115.11 111.72 1twh h GLN 47 Ca 0.31 0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.61 1twh h GLN 47 Cb 0.31 0.04 -0.09 0.00 -0.05 0.00 0.00 27.48 27.69 1twh h GLN 47 CO -0.25 -0.12 -0.23 -0.07 -0.95 0.00 0.00 178.83 177.21 1twh h LEU 48 N -0.22 -0.78 -1.17 1.46 3.38 -1.57 -2.29 115.31 114.12 1twh h LEU 48 Ca -0.02 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1twh h LEU 48 Cb 0.15 0.41 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1twh h LEU 48 CO 0.03 -0.26 0.41 0.44 0.09 0.00 0.00 178.44 179.16 1twh h ASP 49 N -0.15 0.87 -0.21 -0.43 3.32 -0.61 0.16 116.42 119.36 1twh h ASP 49 Ca 0.20 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 1twh h ASP 49 Cb 0.46 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1twh h ASP 49 CO -0.51 0.69 -0.13 -1.28 -1.72 0.00 0.00 179.24 176.28 1twh h SER 50 N 0.99 0.60 -0.08 6.45 0.87 -1.38 -2.42 113.55 118.58 1twh h SER 50 Ca 0.26 -0.17 -0.16 0.00 -1.23 0.00 0.00 61.79 60.49 1twh h SER 50 Cb -0.01 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 61.80 1twh h SER 50 CO -0.04 0.76 -0.57 0.15 -0.53 0.00 0.00 176.83 176.59 1twh h PHE 51 N 0.56 0.73 -0.32 2.24 3.57 -0.78 -2.85 116.94 120.08 1twh h PHE 51 Ca 0.10 -0.34 0.05 0.00 3.53 0.00 0.00 57.97 61.31 1twh h PHE 51 Cb 0.55 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.14 1twh h PHE 51 CO 0.02 1.13 0.02 -0.91 -2.23 0.00 0.00 178.31 176.35 1twh h ASN 52 N 0.12 -0.08 -0.18 0.41 2.35 -0.97 0.66 115.58 117.89 1twh h ASN 52 Ca -0.05 0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1twh h ASN 52 Cb 1.23 0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.70 1twh h ASN 52 CO 0.12 -0.00 0.12 -0.61 -1.65 0.00 0.00 177.43 175.41 1twh h GLN 53 N 0.12 0.21 -0.16 0.81 5.75 -1.45 -0.03 115.11 120.37 1twh h GLN 53 Ca 0.16 -0.01 -0.19 0.00 -0.15 0.00 0.00 58.65 58.45 1twh h GLN 53 Cb 0.20 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.70 1twh h GLN 53 CO -0.24 0.14 -0.67 0.35 -2.65 0.00 0.00 178.83 175.76 1twh h PHE 54 N 0.21 0.81 0.11 3.99 3.57 0.46 -2.10 116.94 123.99 1twh h PHE 54 Ca 0.07 -0.33 -0.01 0.00 3.53 0.00 0.00 57.97 61.24 1twh h PHE 54 Cb 0.02 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.63 1twh h PHE 54 CO -0.00 1.11 -0.05 0.28 -2.23 0.00 0.00 178.31 177.41 1twh h VAL 55 N 0.44 0.00 0.00 1.41 2.07 0.99 -2.77 116.25 118.40 1twh h VAL 55 Ca -0.02 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1twh h VAL 55 Cb 1.25 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1twh h VAL 55 CO 0.13 0.00 0.41 0.47 0.02 0.00 0.00 177.57 178.60 1twh n ASP 56 N -4.04 0.14 0.09 0.57 8.00 -0.76 -4.38 116.55 116.17 1twh n ASP 56 Ca -0.02 0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.83 1twh n ASP 56 Cb 0.06 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 1twh n ASP 56 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1twh n TYR 57 N -1.68 -2.73 0.19 1.24 4.02 -0.93 -4.86 117.16 112.41 1twh n TYR 57 Ca -0.00 0.56 0.12 0.00 -0.01 0.00 0.00 57.90 58.56 1twh n TYR 57 Cb 0.42 1.59 0.63 0.00 -0.02 0.00 0.00 39.34 41.95 1twh n TYR 57 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 1twh h THR 58 N 0.00 0.00 0.00 -0.72 2.02 -1.11 -2.47 112.91 110.63 1twh h THR 58 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1twh h THR 58 Cb 0.00 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1twh h THR 58 CO 0.00 0.00 -0.05 0.25 0.37 0.00 0.00 175.52 176.09 1twh h LEU 59 N 0.00 0.00 -2.53 2.58 5.85 -1.74 -2.13 115.31 117.34 1twh h LEU 59 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1twh h LEU 59 Cb 0.11 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 1twh h LEU 59 CO 0.00 0.18 -0.00 -0.61 -0.34 0.00 0.00 178.44 177.66 1twh h GLN 60 N -0.31 0.00 0.00 1.25 5.75 -1.72 0.98 115.11 121.06 1twh h GLN 60 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1twh h GLN 60 Cb 0.05 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.60 1twh h GLN 60 CO 0.00 0.00 0.00 -0.25 -2.65 0.00 0.00 178.83 175.93 1twh n ASP 61 N -3.74 0.10 0.02 -0.69 9.92 -0.96 -3.58 116.55 117.62 1twh n ASP 61 Ca -0.03 0.52 -0.18 0.00 -0.53 0.00 0.00 54.79 54.56 1twh n ASP 61 Cb 0.08 -0.54 -0.11 0.00 -0.64 0.00 0.00 41.12 39.91 1twh n ASP 61 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1twh h ILE 62 N 0.00 1.39 0.00 0.53 1.08 0.17 -3.17 117.51 117.51 1twh h ILE 62 Ca 0.00 -2.15 0.00 0.00 -0.39 0.00 0.00 64.86 62.32 1twh h ILE 62 Cb 0.41 2.57 0.00 0.00 -3.07 0.00 0.00 36.82 36.73 1twh h ILE 62 CO 0.00 0.64 0.17 0.40 -0.69 0.00 0.00 178.15 178.67 1twh h ILE 63 N 0.02 0.00 0.00 -0.67 5.03 -1.60 -3.29 117.51 117.00 1twh h ILE 63 Ca -0.10 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.64 1twh h ILE 63 Cb 1.44 0.42 0.00 0.00 -3.03 0.00 0.00 36.82 35.65 1twh h ILE 63 CO 0.15 0.00 -0.48 0.00 -0.68 0.00 0.00 178.15 177.14 1twh s GLU 65 N -1.45 -1.08 0.00 0.00 -6.30 -1.20 -4.20 118.70 104.47 1twh s GLU 65 Ca 0.00 -0.07 0.00 0.00 -2.50 0.00 0.00 54.97 52.40 1twh s GLU 65 Cb 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 34.13 32.52 1twh s GLU 65 CO 0.00 -3.62 0.00 -0.25 0.02 0.00 0.00 175.26 171.41 1twh n ASP 66 N -4.70 0.00 -0.36 -1.70 8.00 -1.26 -4.79 116.55 111.74 1twh n ASP 66 Ca 0.13 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.60 1twh n ASP 66 Cb 0.59 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.80 1twh n ASP 66 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1twh h SER 67 N 0.00 1.14 -3.69 -2.24 0.87 -1.73 -3.47 113.55 104.44 1twh h SER 67 Ca 0.00 -0.05 -0.67 0.00 -1.23 0.00 0.00 61.79 59.83 1twh h SER 67 Cb 0.00 -0.29 -0.18 0.00 -0.44 0.00 0.00 62.40 61.49 1twh h SER 67 CO 0.00 0.85 -0.77 0.42 -0.53 0.00 0.00 176.83 176.80 1twh s THR 68 N -6.02 3.06 0.00 2.23 -4.23 -1.26 -2.80 115.64 106.62 1twh s THR 68 Ca -0.13 -1.36 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 1twh s THR 68 Cb 0.18 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.62 1twh s THR 68 CO 0.82 0.14 0.00 0.18 -0.54 0.00 0.00 174.62 175.22 1twh n LEU 69 N 0.87 0.00 -3.75 4.79 4.77 -1.19 -5.06 117.00 117.44 1twh n LEU 69 Ca -0.15 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.55 1twh n LEU 69 Cb 0.52 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.51 1twh n LEU 69 CO 0.30 0.00 0.01 -0.38 -1.33 0.00 0.00 177.39 175.99 1twh n ILE 70 N 0.00 1.89 -0.01 -0.08 2.08 -1.26 -4.81 119.36 117.17 1twh n ILE 70 Ca 0.00 -4.99 -0.04 0.00 0.56 0.00 0.00 62.75 58.28 1twh n ILE 70 Cb 0.00 -2.16 -0.01 0.00 -0.75 0.00 0.00 39.64 36.71 1twh n ILE 70 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 1twh n GLU 89 N 1.59 0.19 -2.36 0.38 0.00 -0.73 -4.51 120.64 115.20 1twh n GLU 89 Ca 0.23 0.08 -0.00 0.00 0.00 0.00 0.00 57.16 57.47 1twh n GLU 89 Cb 0.37 -0.83 -0.00 0.00 0.00 0.00 0.00 31.44 30.98 1twh n GLU 89 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1twh n ILE 90 N -3.78-13.47 -3.73 6.31 -0.00 -1.22 -4.89 119.36 98.57 1twh n ILE 90 Ca -0.07 3.16 -0.15 0.00 -0.00 0.00 0.00 62.75 65.70 1twh n ILE 90 Cb 0.24 -6.15 -0.15 0.00 -0.00 0.00 0.00 39.64 33.59 1twh n ILE 90 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 1twh s SER 91 N -0.60 0.16 0.07 4.38 1.04 -0.59 -3.15 113.70 115.00 1twh s SER 91 Ca -0.01 0.23 -0.22 0.00 0.48 0.00 0.00 55.95 56.42 1twh s SER 91 Cb 0.00 0.12 -0.06 0.00 0.10 0.00 0.00 66.02 66.18 1twh s SER 91 CO 0.04 -0.17 0.67 -0.36 0.98 0.00 0.00 173.24 174.40 1twh s PHE 92 N 1.41 3.79 0.00 5.02 0.40 -1.12 -2.89 117.98 124.59 1twh s PHE 92 Ca -0.06 1.39 0.00 0.00 -0.60 0.00 0.00 56.93 57.66 1twh s PHE 92 Cb -0.12 -2.66 0.00 0.00 0.51 0.00 0.00 43.02 40.75 1twh s PHE 92 CO -0.05 0.45 0.00 0.41 0.70 0.00 0.00 175.22 176.72 1twh n GLY 93 N 2.00 2.68 3.33 4.36 0.00 0.23 -4.84 105.19 112.96 1twh n GLY 93 Ca -0.07 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.12 1twh n GLY 93 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1twh n LYS 94 N 0.00 -1.40 -5.01 1.61 4.81 -1.26 -4.68 118.16 112.23 1twh n LYS 94 Ca 0.00 -0.38 -0.28 0.00 -0.87 0.00 0.00 58.31 56.78 1twh n LYS 94 Cb 0.00 -1.79 -0.16 0.00 0.02 0.00 0.00 35.03 33.10 1twh n LYS 94 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1twh s ILE 95 N -2.29 1.66 0.32 3.15 1.09 -1.26 -3.66 121.20 120.21 1twh s ILE 95 Ca 0.58 -0.87 0.08 0.00 -1.10 0.00 0.00 60.65 59.34 1twh s ILE 95 Cb -0.15 -1.40 -0.03 0.00 -1.06 0.00 0.00 42.46 39.81 1twh s ILE 95 CO 0.66 0.47 0.21 -0.31 -0.10 0.00 0.00 174.94 175.87 1twh s TYR 96 N -0.24 2.86 -0.07 3.97 1.51 -0.25 -4.99 117.35 120.15 1twh s TYR 96 Ca 0.02 -0.29 0.02 0.00 -1.01 0.00 0.00 57.07 55.81 1twh s TYR 96 Cb -0.10 -1.64 0.01 0.00 -0.11 0.00 0.00 41.96 40.12 1twh s TYR 96 CO 0.01 0.32 -0.12 0.08 -1.11 0.00 0.00 175.55 174.72 1twh s VAL 97 N -2.32 1.14 0.48 0.71 1.01 -1.26 -3.30 120.40 116.86 1twh s VAL 97 Ca 0.38 -0.48 -0.24 0.00 0.00 0.00 0.00 61.98 61.64 1twh s VAL 97 Cb -0.05 -1.05 -0.07 0.00 0.00 0.00 0.00 36.38 35.21 1twh s VAL 97 CO 0.25 0.36 1.42 -0.89 0.00 0.00 0.00 175.10 176.24 1twh s THR 98 N 0.71 2.01 0.66 3.92 2.01 -1.14 -5.03 115.64 118.79 1twh s THR 98 Ca -0.14 0.01 -0.11 0.00 0.31 0.00 0.00 61.69 61.77 1twh s THR 98 Cb -0.16 -3.01 0.17 0.00 0.01 0.00 0.00 72.50 69.52 1twh s THR 98 CO 0.03 0.00 0.42 0.29 -0.69 0.00 0.00 174.62 174.67 1twh n LYS 99 N -0.41 -3.11 -3.30 4.92 5.02 -1.26 -4.48 118.16 115.54 1twh n LYS 99 Ca 0.06 -0.69 -0.31 0.00 -2.02 0.00 0.00 58.31 55.35 1twh n LYS 99 Cb 0.42 -0.85 -0.05 0.00 -0.02 0.00 0.00 35.03 34.54 1twh n LYS 99 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1twh s PRO 100 N -3.99 3.77 0.14 1.97 0.02 -1.26 -4.44 135.00 131.21 1twh s PRO 100 Ca 0.31 0.26 -0.25 0.00 0.02 0.00 0.00 61.00 61.33 1twh s PRO 100 Cb -0.05 -2.59 0.07 0.00 0.02 0.00 0.00 34.50 31.94 1twh s PRO 100 CO 0.26 0.23 0.97 0.00 -0.33 0.00 0.00 177.00 178.13 1twh s MET 101 N -3.17 1.15 -0.08 5.54 0.23 -1.19 -0.43 119.30 121.35 1twh s MET 101 Ca 0.47 -0.63 -0.05 0.00 -1.03 0.00 0.00 55.69 54.46 1twh s MET 101 Cb -0.11 0.39 0.03 0.00 -1.53 0.00 0.00 34.83 33.62 1twh s MET 101 CO 0.25 -0.53 0.18 0.08 -2.03 0.00 0.00 175.02 172.97 1twh s VAL 102 N -3.24 -0.03 -0.15 5.16 1.01 0.26 -4.57 120.40 118.83 1twh s VAL 102 Ca 0.12 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.92 1twh s VAL 102 Cb -0.01 -0.28 -0.07 0.00 0.00 0.00 0.00 36.38 36.02 1twh s VAL 102 CO 0.02 0.05 2.14 -3.20 0.00 0.00 0.00 175.10 174.10 1twh n ASN 103 N 3.83 3.43 -4.83 3.32 5.15 -1.26 -1.71 115.26 123.19 1twh n ASN 103 Ca -0.22 0.44 -0.33 0.00 -0.60 0.00 0.00 54.58 53.88 1twh n ASN 103 Cb 0.54 -1.52 -0.06 0.00 -0.53 0.00 0.00 39.78 38.22 1twh n ASN 103 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1twh s GLU 104 N 5.74 4.11 -0.38 1.20 0.41 -1.26 -4.86 118.70 123.66 1twh s GLU 104 Ca 0.98 1.00 -0.09 0.00 -0.41 0.00 0.00 54.97 56.45 1twh s GLU 104 Cb -0.42 -2.20 -0.09 0.00 -1.78 0.00 0.00 34.13 29.64 1twh s GLU 104 CO 0.39 -0.08 1.41 -1.13 -0.49 0.00 0.00 175.26 175.36 1twh n SER 105 N -0.91 -0.94 -2.50 -0.19 3.41 -1.05 -4.78 113.62 106.65 1twh n SER 105 Ca 0.06 -1.67 -0.03 0.00 -0.26 0.00 0.00 58.87 56.97 1twh n SER 105 Cb 0.54 -0.94 -0.02 0.00 -0.26 0.00 0.00 64.21 63.52 1twh n SER 105 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1twh n ASP 106 N 9.32 -4.56 0.00 4.04 10.43 -1.26 -4.60 116.55 129.91 1twh n ASP 106 Ca 0.16 1.53 0.00 0.00 2.57 0.00 0.00 54.79 59.05 1twh n ASP 106 Cb 0.47 -4.82 0.00 0.00 1.84 0.00 0.00 41.12 38.61 1twh n ASP 106 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1twh n GLY 107 N 1.85 2.33 1.44 0.44 0.00 -1.26 -5.10 105.19 104.90 1twh n GLY 107 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1twh n GLY 107 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1twh n VAL 108 N -0.31 -4.18 -1.39 1.61 0.31 -1.26 -4.99 118.33 108.11 1twh n VAL 108 Ca 0.00 1.91 0.00 0.00 -0.01 0.00 0.00 64.34 66.24 1twh n VAL 108 Cb 0.00 -2.75 0.00 0.00 -0.91 0.00 0.00 33.84 30.18 1twh n VAL 108 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1twh n THR 109 N -1.44 -0.03 -3.91 2.52 -1.04 -0.77 -4.84 114.28 104.78 1twh n THR 109 Ca 0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.82 1twh n THR 109 Cb 0.14 -1.05 -0.17 0.00 -1.82 0.00 0.00 70.33 67.44 1twh n THR 109 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 1twh s HIS 110 N 0.00 0.40 -0.23 -1.42 5.04 -0.69 -4.90 115.29 113.49 1twh s HIS 110 Ca 0.00 -0.03 -0.42 0.00 -1.54 0.00 0.00 55.06 53.07 1twh s HIS 110 Cb 0.00 -0.51 -0.20 0.00 0.04 0.00 0.00 32.58 31.92 1twh s HIS 110 CO 0.00 -0.17 1.29 0.00 -2.34 0.00 0.00 174.74 173.52 1twh n ALA 111 N 4.39 -2.53 -3.23 1.58 0.00 -1.24 -0.57 120.51 118.90 1twh n ALA 111 Ca -0.21 0.54 -0.37 0.00 0.00 0.00 0.00 53.44 53.40 1twh n ALA 111 Cb 0.50 -1.80 -0.13 0.00 0.00 0.00 0.00 19.45 18.03 1twh n ALA 111 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1twh s LEU 112 N 1.39 3.82 0.52 0.00 2.96 0.42 -4.79 118.68 123.00 1twh s LEU 112 Ca 0.96 -0.75 -0.12 0.00 -0.22 0.00 0.00 54.13 54.00 1twh s LEU 112 Cb -1.35 -1.86 -0.06 0.00 0.50 0.00 0.00 46.19 43.42 1twh s LEU 112 CO 0.67 -0.19 0.93 -0.31 -1.32 0.00 0.00 176.35 176.13 1twh s TYR 113 N 1.48 3.53 0.16 5.38 1.51 -1.26 -4.66 117.35 123.48 1twh s TYR 113 Ca 0.02 1.24 -0.14 0.00 -1.01 0.00 0.00 57.07 57.17 1twh s TYR 113 Cb -0.17 -2.63 0.05 0.00 -0.11 0.00 0.00 41.96 39.09 1twh s TYR 113 CO 0.02 -0.41 1.79 -1.00 -1.11 0.00 0.00 175.55 174.84 1twh h PRO 114 N 0.49 0.69 -1.82 -1.71 0.13 -1.99 -2.52 132.00 125.27 1twh h PRO 114 Ca -0.46 -0.07 0.53 0.00 -0.87 0.00 0.00 66.00 65.13 1twh h PRO 114 Cb 1.19 -0.14 -0.07 0.00 0.13 0.00 0.00 31.00 32.11 1twh h PRO 114 CO 0.62 0.51 1.34 0.94 -0.23 0.00 0.00 178.00 181.19 1twh n GLN 115 N -4.68 0.00 -0.06 0.86 -0.06 -1.26 -1.11 117.38 111.07 1twh n GLN 115 Ca 0.02 1.02 -0.22 0.00 -2.00 0.00 0.00 57.00 55.83 1twh n GLN 115 Cb 0.06 -2.38 -0.13 0.00 -4.06 0.00 0.00 30.24 23.73 1twh n GLN 115 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 1twh n GLU 116 N -3.77 0.67 0.00 3.69 2.13 -1.04 -2.57 120.64 119.75 1twh n GLU 116 Ca 0.41 0.35 0.12 0.00 0.66 0.00 0.00 57.16 58.70 1twh n GLU 116 Cb 1.89 -1.68 0.54 0.00 0.27 0.00 0.00 31.44 32.46 1twh n GLU 116 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1twh n ALA 117 N -3.27 2.16 -0.01 4.31 0.00 -0.39 -0.91 120.51 122.40 1twh n ALA 117 Ca -0.36 -0.09 -0.16 0.00 0.00 0.00 0.00 53.44 52.84 1twh n ALA 117 Cb 0.91 -1.41 -0.12 0.00 0.00 0.00 0.00 19.45 18.83 1twh n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1twh h ARG 118 N 0.00 0.21 -0.71 0.00 3.08 -0.99 -2.78 114.38 113.19 1twh h ARG 118 Ca 0.00 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 59.77 1twh h ARG 118 Cb 0.44 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 1twh h ARG 118 CO 0.00 1.01 0.33 -0.07 -1.07 0.00 0.00 179.97 180.17 1twh h LEU 119 N -0.47 0.92 -0.14 3.04 3.38 -1.09 -2.79 115.31 118.15 1twh h LEU 119 Ca -0.05 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1twh h LEU 119 Cb 1.16 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1twh h LEU 119 CO 0.07 0.79 0.00 0.54 0.09 0.00 0.00 178.44 179.93 1twh n ARG 120 N -4.33 1.09 -3.00 1.13 1.74 -0.08 -4.92 116.66 108.29 1twh n ARG 120 Ca 0.07 -0.13 -0.19 0.00 -0.77 0.00 0.00 57.85 56.82 1twh n ARG 120 Cb 0.14 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 1twh n ARG 120 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1twh n ASN 121 N -0.57 -4.15 -4.13 0.55 5.03 -1.05 -4.43 115.26 106.51 1twh n ASN 121 Ca 0.10 -0.18 -0.29 0.00 0.87 0.00 0.00 54.58 55.08 1twh n ASN 121 Cb 0.07 -3.44 0.19 0.00 -1.02 0.00 0.00 39.78 35.58 1twh n ASN 121 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1twh s LEU 122 N -6.23 2.77 -0.32 3.41 1.43 -1.05 -3.52 118.68 115.18 1twh s LEU 122 Ca 0.25 0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.47 1twh s LEU 122 Cb -0.13 -2.16 0.10 0.00 0.03 0.00 0.00 46.19 44.04 1twh s LEU 122 CO 0.31 -2.71 0.10 -0.89 0.23 0.00 0.00 176.35 173.40 1twh s THR 123 N -3.83 0.93 -0.91 5.49 2.01 -1.26 0.12 115.64 118.20 1twh s THR 123 Ca 0.74 -1.48 -0.24 0.00 0.31 0.00 0.00 61.69 61.02 1twh s THR 123 Cb -0.03 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 1twh s THR 123 CO 0.52 -0.69 1.92 -0.47 -0.69 0.00 0.00 174.62 175.22 1twh s TYR 124 N 1.54 1.84 0.23 4.92 5.04 -0.64 -4.85 117.35 125.43 1twh s TYR 124 Ca 0.10 0.56 0.09 0.00 -2.44 0.00 0.00 57.07 55.38 1twh s TYR 124 Cb -0.18 -4.08 -0.05 0.00 0.35 0.00 0.00 41.96 38.01 1twh s TYR 124 CO -0.24 -1.75 -0.17 -1.54 -1.34 0.00 0.00 175.55 170.51 1twh s SER 125 N 7.88 2.95 0.32 4.32 1.04 -1.26 -1.77 113.70 127.17 1twh s SER 125 Ca 0.69 -1.00 0.03 0.00 0.48 0.00 0.00 55.95 56.15 1twh s SER 125 Cb -0.06 -0.20 -0.06 0.00 0.10 0.00 0.00 66.02 65.80 1twh s SER 125 CO -0.01 -0.08 0.06 -0.44 0.98 0.00 0.00 173.24 173.75 1twh s SER 126 N -3.30 2.24 0.32 7.02 0.01 0.35 -3.34 113.70 117.01 1twh s SER 126 Ca 0.24 -1.38 0.10 0.00 1.31 0.00 0.00 55.95 56.23 1twh s SER 126 Cb -0.03 -0.06 -0.06 0.00 0.21 0.00 0.00 66.02 66.08 1twh s SER 126 CO 0.10 -0.62 -0.13 -0.83 0.41 0.00 0.00 173.24 172.17 1twh s GLY 127 N -3.47 2.10 -0.05 3.44 0.00 -1.25 0.01 107.32 108.10 1twh s GLY 127 Ca 0.37 -2.02 0.05 0.00 0.00 0.00 0.00 44.72 43.12 1twh s GLY 127 CO 0.15 -2.01 -0.22 1.08 0.00 0.00 0.00 173.10 172.10 1twh s LEU 128 N -3.58 2.01 -0.19 0.66 1.02 0.37 -2.89 118.68 116.09 1twh s LEU 128 Ca 0.32 -0.46 0.01 0.00 0.02 0.00 0.00 54.13 54.02 1twh s LEU 128 Cb 0.00 -1.23 0.03 0.00 0.02 0.00 0.00 46.19 45.01 1twh s LEU 128 CO 0.16 0.21 -0.16 -0.36 0.02 0.00 0.00 176.35 176.21 1twh s PHE 129 N -0.06 2.72 0.75 0.29 0.40 -1.21 0.21 117.98 121.08 1twh s PHE 129 Ca -0.05 -1.69 -0.13 0.00 -0.60 0.00 0.00 56.93 54.46 1twh s PHE 129 Cb -0.13 -1.83 0.18 0.00 0.51 0.00 0.00 43.02 41.74 1twh s PHE 129 CO 0.03 -0.79 0.87 1.33 0.70 0.00 0.00 175.22 177.36 1twh n VAL 130 N 4.62 0.00 -3.40 -0.44 0.24 -1.10 -1.09 118.33 117.16 1twh n VAL 130 Ca -0.18 -0.56 -0.17 0.00 -2.04 0.00 0.00 64.34 61.38 1twh n VAL 130 Cb 0.48 -1.48 -0.09 0.00 -1.47 0.00 0.00 33.84 31.28 1twh n VAL 130 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1twh s ASP 131 N -4.10 1.65 0.39 -1.34 1.01 -1.24 -4.24 116.67 108.79 1twh s ASP 131 Ca 0.52 -0.91 -0.08 0.00 0.71 0.00 0.00 52.55 52.78 1twh s ASP 131 Cb -0.03 0.49 -0.06 0.00 1.01 0.00 0.00 42.92 44.34 1twh s ASP 131 CO 0.37 -0.37 0.72 -0.69 0.21 0.00 0.00 175.17 175.41 1twh s VAL 132 N 2.20 4.86 -0.09 -1.27 1.01 -1.26 0.78 120.40 126.64 1twh s VAL 132 Ca 0.11 0.41 -0.03 0.00 0.00 0.00 0.00 61.98 62.47 1twh s VAL 132 Cb -0.14 -3.75 0.04 0.00 0.00 0.00 0.00 36.38 32.53 1twh s VAL 132 CO -0.28 -0.51 0.06 -0.54 0.00 0.00 0.00 175.10 173.83 1twh s LYS 133 N -3.90 0.07 0.11 2.72 3.01 -1.14 -4.99 119.74 115.62 1twh s LYS 133 Ca 0.49 0.18 -0.30 0.00 -1.01 0.00 0.00 55.97 55.33 1twh s LYS 133 Cb -0.10 -1.00 -0.06 0.00 -1.01 0.00 0.00 37.83 35.65 1twh s LYS 133 CO 0.33 -0.44 0.98 0.21 0.51 0.00 0.00 175.35 176.94 1twh s LYS 134 N 2.13 4.68 -0.22 1.68 2.20 -1.26 -1.55 119.74 127.40 1twh s LYS 134 Ca 0.04 1.47 -0.26 0.00 -0.36 0.00 0.00 55.97 56.86 1twh s LYS 134 Cb -0.13 -3.37 0.07 0.00 -1.51 0.00 0.00 37.83 32.88 1twh s LYS 134 CO -0.05 0.18 0.73 1.03 -0.36 0.00 0.00 175.35 176.88 1twh s ARG 135 N 0.05 0.87 -0.17 4.03 0.52 -1.26 -4.93 118.95 118.07 1twh s ARG 135 Ca 0.48 0.81 -0.15 0.00 -0.52 0.00 0.00 55.73 56.35 1twh s ARG 135 Cb -0.24 0.42 -0.04 0.00 0.52 0.00 0.00 34.95 35.61 1twh s ARG 135 CO 0.30 -0.15 0.34 0.99 0.02 0.00 0.00 175.30 176.80 1twh s THR 136 N 0.01 5.27 -0.30 0.02 2.01 -1.26 -1.76 115.64 119.63 1twh s THR 136 Ca -0.02 0.63 -0.16 0.00 0.31 0.00 0.00 61.69 62.44 1twh s THR 136 Cb -0.04 -3.68 0.17 0.00 0.01 0.00 0.00 72.50 68.97 1twh s THR 136 CO 0.03 0.35 1.18 -0.31 -0.69 0.00 0.00 174.62 175.17 1twh s TYR 137 N 0.69 -0.21 -0.87 4.92 1.51 -1.26 -4.91 117.35 117.22 1twh s TYR 137 Ca 0.18 0.22 -0.02 0.00 -1.01 0.00 0.00 57.07 56.44 1twh s TYR 137 Cb -0.14 0.07 0.21 0.00 -0.11 0.00 0.00 41.96 42.00 1twh s TYR 137 CO 0.06 -0.12 0.75 -1.21 -1.11 0.00 0.00 175.55 173.91 1twh s GLU 138 N 2.98 3.20 0.00 -0.62 8.01 -1.26 -3.66 118.70 127.34 1twh s GLU 138 Ca -0.04 -3.23 0.00 0.00 0.01 0.00 0.00 54.97 51.70 1twh s GLU 138 Cb -0.08 -3.92 0.00 0.00 -4.31 0.00 0.00 34.13 25.82 1twh s GLU 138 CO -0.09 -1.26 0.58 1.63 0.01 0.00 0.00 175.26 176.12 1twh n LYS 164 N 2.39 0.00 -0.72 1.61 5.02 -1.26 -5.07 118.16 120.14 1twh n LYS 164 Ca 0.20 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 57.00 1twh n LYS 164 Cb 0.37 -1.08 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 1twh n LYS 164 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1twh n VAL 165 N -1.22 -1.19 -2.32 -0.18 0.31 -1.26 -4.12 118.33 108.35 1twh n VAL 165 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.95 1twh n VAL 165 Cb 0.00 -1.79 -0.02 0.00 -0.91 0.00 0.00 33.84 31.12 1twh n VAL 165 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1twh s PHE 166 N 0.00 3.09 0.00 3.52 5.36 -1.26 -2.73 117.98 125.96 1twh s PHE 166 Ca 0.00 1.56 0.00 0.00 -0.96 0.00 0.00 56.93 57.53 1twh s PHE 166 Cb 0.00 -3.37 0.00 0.00 -0.34 0.00 0.00 43.02 39.31 1twh s PHE 166 CO 0.00 -1.26 0.42 -0.89 -1.46 0.00 0.00 175.22 172.03 1twh n ILE 167 N 0.07 0.13 0.00 3.12 2.08 0.56 -4.87 119.36 120.44 1twh n ILE 167 Ca 0.04 -0.38 0.00 0.00 0.56 0.00 0.00 62.75 62.98 1twh n ILE 167 Cb 0.47 1.23 0.00 0.00 -0.75 0.00 0.00 39.64 40.59 1twh n ILE 167 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1twh n GLY 168 N -0.06 2.25 3.03 7.39 0.00 -1.20 -4.58 105.19 112.02 1twh n GLY 168 Ca 0.00 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.58 1twh n GLY 168 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1twh s ARG 169 N -2.01 2.15 -0.18 1.61 0.52 -1.26 0.14 118.95 119.92 1twh s ARG 169 Ca 0.00 -0.52 -0.01 0.00 -0.52 0.00 0.00 55.73 54.68 1twh s ARG 169 Cb 0.00 -1.89 0.00 0.00 0.52 0.00 0.00 34.95 33.58 1twh s ARG 169 CO 0.00 -0.12 -0.13 -1.17 0.02 0.00 0.00 175.30 173.89 1twh s LEU 170 N 1.17 2.50 0.24 2.53 2.96 0.10 -4.50 118.68 123.69 1twh s LEU 170 Ca -0.03 -0.50 -0.30 0.00 -0.22 0.00 0.00 54.13 53.08 1twh s LEU 170 Cb -0.14 -1.59 -0.10 0.00 0.50 0.00 0.00 46.19 44.85 1twh s LEU 170 CO -0.04 0.03 1.50 -2.84 -1.32 0.00 0.00 176.35 173.68 1twh s PRO 171 N 1.15 4.22 0.02 0.98 0.02 -1.26 0.13 135.00 140.26 1twh s PRO 171 Ca 0.01 2.38 0.07 0.00 0.02 0.00 0.00 61.00 63.48 1twh s PRO 171 Cb -0.14 -3.10 -0.03 0.00 0.02 0.00 0.00 34.50 31.25 1twh s PRO 171 CO -0.05 -0.51 -0.20 0.42 -0.33 0.00 0.00 177.00 176.33 1twh s ILE 172 N 0.21 2.62 0.11 2.83 1.01 -0.73 -4.84 121.20 122.41 1twh s ILE 172 Ca 0.62 -1.13 -0.30 0.00 0.00 0.00 0.00 60.65 59.84 1twh s ILE 172 Cb -0.44 -2.05 -0.06 0.00 0.01 0.00 0.00 42.46 39.92 1twh s ILE 172 CO 0.42 0.42 1.14 -0.32 0.00 0.00 0.00 174.94 176.61 1twh s MET 173 N -1.16 4.51 0.51 2.79 -2.45 -1.26 -4.60 119.30 117.64 1twh s MET 173 Ca 0.13 1.73 -0.21 0.00 -1.25 0.00 0.00 55.69 56.08 1twh s MET 173 Cb -0.10 -3.32 -0.06 0.00 1.25 0.00 0.00 34.83 32.60 1twh s MET 173 CO 0.03 -0.10 1.20 -0.51 1.05 0.00 0.00 175.02 176.69 1twh s LEU 174 N 0.41 3.88 -0.40 4.11 1.02 0.11 -1.91 118.68 125.89 1twh s LEU 174 Ca 0.54 2.38 0.00 0.00 0.02 0.00 0.00 54.13 57.07 1twh s LEU 174 Cb -0.29 -4.36 0.00 0.00 0.02 0.00 0.00 46.19 41.56 1twh s LEU 174 CO 0.32 -1.20 0.00 0.54 0.02 0.00 0.00 176.35 176.03 1twh n ARG 175 N -0.91 -1.48 -1.84 1.70 1.74 -1.26 -2.33 116.66 112.28 1twh n ARG 175 Ca 0.10 0.55 -0.21 0.00 -0.77 0.00 0.00 57.85 57.51 1twh n ARG 175 Cb 0.48 -4.74 0.13 0.00 -1.02 0.00 0.00 32.46 27.32 1twh n ARG 175 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1twh n SER 176 N -0.76 0.55 0.08 0.55 3.41 -0.80 -4.68 113.62 111.96 1twh n SER 176 Ca -0.04 -1.64 -0.11 0.00 -0.26 0.00 0.00 58.87 56.82 1twh n SER 176 Cb 0.43 -0.68 -0.04 0.00 -0.26 0.00 0.00 64.21 63.66 1twh n SER 176 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1twh h LYS 177 N 0.00 0.29 0.00 4.33 1.57 -1.95 -1.96 116.57 118.85 1twh h LYS 177 Ca -0.31 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.14 1twh h LYS 177 Cb 0.97 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1twh h LYS 177 CO 0.26 1.04 0.00 0.09 -0.57 0.00 0.00 179.45 180.28 1twh n ASN 178 N -3.68 0.00 -4.84 0.86 4.13 -1.26 -4.85 115.26 105.61 1twh n ASN 178 Ca -0.05 0.14 -0.28 0.00 1.68 0.00 0.00 54.58 56.07 1twh n ASN 178 Cb 0.84 -0.32 -0.05 0.00 -1.54 0.00 0.00 39.78 38.71 1twh n ASN 178 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1twh n TYR 180 N -0.06 0.56 0.59 0.00 4.02 -1.26 -3.00 117.16 118.02 1twh n TYR 180 Ca -0.08 0.24 0.12 0.00 -0.01 0.00 0.00 57.90 58.18 1twh n TYR 180 Cb 0.53 -0.88 0.28 0.00 -0.02 0.00 0.00 39.34 39.25 1twh n TYR 180 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1twh n LEU 181 N -2.03 0.76 0.07 7.72 4.77 -1.26 -3.49 117.00 123.55 1twh n LEU 181 Ca 0.02 0.40 -0.15 0.00 -0.03 0.00 0.00 56.01 56.25 1twh n LEU 181 Cb 0.17 -0.25 -0.07 0.00 -2.33 0.00 0.00 43.42 40.94 1twh n LEU 181 CO 0.15 -0.12 0.12 0.77 -1.33 0.00 0.00 177.39 176.99 1twh h SER 182 N 0.00 0.55 1.33 -1.43 4.64 -1.77 -1.70 113.55 115.18 1twh h SER 182 Ca 0.00 -0.47 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1twh h SER 182 Cb 0.74 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1twh h SER 182 CO 0.00 1.29 -0.49 -0.33 -0.87 0.00 0.00 176.83 176.43 1twh h GLU 183 N 0.21 0.00 -7.01 4.77 3.07 -1.79 -3.47 114.58 110.36 1twh h GLU 183 Ca -0.10 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.23 1twh h GLU 183 Cb 1.67 0.00 0.10 0.00 -0.84 0.00 0.00 28.75 29.68 1twh h GLU 183 CO 0.18 0.00 0.57 0.00 -1.40 0.00 0.00 179.01 178.35 1twh s ALA 184 N -3.24 2.96 0.83 3.43 0.00 -0.64 -5.00 121.76 120.10 1twh s ALA 184 Ca 0.05 1.17 -0.04 0.00 0.00 0.00 0.00 51.96 53.14 1twh s ALA 184 Cb 0.09 -3.49 0.07 0.00 0.00 0.00 0.00 23.12 19.79 1twh s ALA 184 CO 0.71 -1.01 0.42 0.25 0.00 0.00 0.00 175.76 176.13 1twh n THR 185 N -0.61 0.00 0.06 0.00 -2.24 -1.26 -4.79 114.28 105.43 1twh n THR 185 Ca 0.08 -0.41 -0.11 0.00 -2.27 0.00 0.00 64.05 61.34 1twh n THR 185 Cb 0.46 -1.62 -0.08 0.00 -2.10 0.00 0.00 70.33 66.99 1twh n THR 185 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1twh h GLU 186 N 0.00 -0.21 -0.35 -0.78 4.81 -2.00 0.23 114.58 116.28 1twh h GLU 186 Ca -0.14 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.21 1twh h GLU 186 Cb 0.41 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1twh h GLU 186 CO 0.11 0.22 0.28 0.77 -0.73 0.00 0.00 179.01 179.66 1twh h SER 187 N -0.81 0.00 0.76 1.04 0.02 -1.99 -0.66 113.55 111.90 1twh h SER 187 Ca -0.02 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.78 1twh h SER 187 Cb 0.53 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 1twh h SER 187 CO 0.04 0.00 -0.69 0.44 -1.14 0.00 0.00 176.83 175.48 1twh h ASP 188 N 0.00 0.00 -0.22 3.07 3.32 -0.94 0.96 116.42 122.60 1twh h ASP 188 Ca 0.17 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.14 1twh h ASP 188 Cb 0.73 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.28 1twh h ASP 188 CO -0.00 0.69 -0.18 -0.07 -1.72 0.00 0.00 179.24 177.96 1twh h LEU 189 N 0.00 0.54 -0.06 1.55 3.38 0.20 -0.15 115.31 120.77 1twh h LEU 189 Ca -0.01 -0.46 0.03 0.00 0.09 0.00 0.00 57.88 57.54 1twh h LEU 189 Cb 1.25 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 1twh h LEU 189 CO 0.09 0.88 -0.16 1.88 0.09 0.00 0.00 178.44 181.22 1twh h TYR 190 N 0.20 -0.41 -1.00 1.13 -1.99 -0.91 0.18 116.97 114.17 1twh h TYR 190 Ca 0.04 0.02 0.21 0.00 2.00 0.00 0.00 58.73 61.00 1twh h TYR 190 Cb 0.71 0.19 -0.11 0.00 2.00 0.00 0.00 36.73 39.52 1twh h TYR 190 CO 0.07 -0.23 0.60 0.87 -0.00 0.00 0.00 178.16 179.47 1twh h LYS 191 N -0.23 0.67 -0.07 4.88 1.57 -0.76 0.59 116.57 123.21 1twh h LYS 191 Ca 0.07 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1twh h LYS 191 Cb 0.33 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1twh h LYS 191 CO -0.20 0.44 0.00 1.28 -0.57 0.00 0.00 179.45 180.41 1twh n LEU 192 N -4.82 0.46 -0.36 2.94 4.77 -0.07 -4.86 117.00 115.05 1twh n LEU 192 Ca 0.25 -0.22 -0.05 0.00 -0.03 0.00 0.00 56.01 55.96 1twh n LEU 192 Cb 0.64 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.66 1twh n LEU 192 CO 0.19 0.11 -0.05 0.29 -1.33 0.00 0.00 177.39 176.60 1twh n LYS 193 N -0.33 -0.82 -3.64 3.23 5.02 0.20 -4.56 118.16 117.26 1twh n LYS 193 Ca 0.07 0.53 -0.37 0.00 -2.02 0.00 0.00 58.31 56.52 1twh n LYS 193 Cb 0.10 -4.34 -0.10 0.00 -0.02 0.00 0.00 35.03 30.67 1twh n LYS 193 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1twh s GLU 194 N -1.85 4.00 0.25 1.97 0.41 -0.03 -4.90 118.70 118.55 1twh s GLU 194 Ca 0.00 -0.30 -0.31 0.00 -0.41 0.00 0.00 54.97 53.95 1twh s GLU 194 Cb 0.00 -3.58 -0.11 0.00 -1.78 0.00 0.00 34.13 28.65 1twh s GLU 194 CO 0.00 -0.05 1.64 0.00 -0.49 0.00 0.00 175.26 176.36 1twh h PRO 196 N 5.70 0.00 0.00 0.00 0.11 -1.92 -1.38 132.00 134.52 1twh h PRO 196 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1twh h PRO 196 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1twh h PRO 196 CO 0.86 0.00 -0.20 1.19 -0.21 0.00 0.00 178.00 179.65 1twh n PHE 197 N -4.18 0.49 -1.22 0.65 3.01 -1.26 -4.89 117.46 110.06 1twh n PHE 197 Ca 0.23 0.14 -0.30 0.00 1.01 0.00 0.00 57.45 58.53 1twh n PHE 197 Cb 1.14 -0.68 0.12 0.00 -0.01 0.00 0.00 39.48 40.05 1twh n PHE 197 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1twh s ASP 198 N -3.87 3.90 0.00 4.37 -1.08 -0.52 -4.89 116.67 114.58 1twh s ASP 198 Ca 0.11 1.64 0.00 0.00 -0.52 0.00 0.00 52.55 53.77 1twh s ASP 198 Cb 0.15 -2.32 0.00 0.00 -1.46 0.00 0.00 42.92 39.29 1twh s ASP 198 CO 0.62 -2.39 0.00 1.15 0.52 0.00 0.00 175.17 175.07 1twh n MET 199 N -3.74 4.45 0.00 4.34 0.00 -1.26 -4.99 117.12 115.93 1twh n MET 199 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.78 1twh n MET 199 Cb 0.54 -0.32 0.00 0.00 0.00 0.00 0.00 33.22 33.44 1twh n MET 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1twh n GLY 200 N 0.64 -3.53 0.57 3.17 0.00 -1.26 -4.85 105.19 99.92 1twh n GLY 200 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1twh n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1twh n GLY 201 N -0.34 0.83 3.57 -0.02 0.00 -0.98 -4.94 105.19 103.31 1twh n GLY 201 Ca 0.00 -0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 1twh n GLY 201 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1twh s TYR 202 N -2.00 1.81 0.03 1.61 -0.85 -1.26 -4.69 117.35 112.00 1twh s TYR 202 Ca 0.00 -1.22 0.03 0.00 -0.52 0.00 0.00 57.07 55.36 1twh s TYR 202 Cb 0.00 -1.26 -0.04 0.00 0.38 0.00 0.00 41.96 41.05 1twh s TYR 202 CO 0.00 -0.19 -0.02 -0.06 -1.52 0.00 0.00 175.55 173.76 1twh s PHE 203 N -3.13 2.98 -0.30 -3.49 0.40 -0.71 -0.71 117.98 113.02 1twh s PHE 203 Ca 0.20 0.01 -0.08 0.00 -0.60 0.00 0.00 56.93 56.46 1twh s PHE 203 Cb 0.02 -1.60 -0.00 0.00 0.51 0.00 0.00 43.02 41.95 1twh s PHE 203 CO 0.12 0.44 0.10 0.42 0.70 0.00 0.00 175.22 177.01 1twh s ILE 204 N -1.13 4.22 -0.20 0.64 -1.09 -1.26 -0.85 121.20 121.53 1twh s ILE 204 Ca 0.21 -0.54 0.00 0.00 -2.23 0.00 0.00 60.65 58.08 1twh s ILE 204 Cb -0.11 -3.15 0.05 0.00 -1.58 0.00 0.00 42.46 37.67 1twh s ILE 204 CO 0.12 0.10 -0.05 -0.63 -1.23 0.00 0.00 174.94 173.25 1twh s ILE 205 N 1.55 1.33 -0.86 2.92 1.09 -0.98 -1.62 121.20 124.63 1twh s ILE 205 Ca 0.04 -0.94 -0.05 0.00 -1.10 0.00 0.00 60.65 58.60 1twh s ILE 205 Cb -0.17 -1.56 0.01 0.00 -1.06 0.00 0.00 42.46 39.68 1twh s ILE 205 CO 0.04 0.01 0.75 0.59 -0.10 0.00 0.00 174.94 176.23 1twh n ASN 206 N 4.77 -4.62 0.00 3.58 3.02 0.70 -2.52 115.26 120.19 1twh n ASN 206 Ca -0.12 -0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.08 1twh n ASN 206 Cb 0.46 -3.41 0.00 0.00 -0.61 0.00 0.00 39.78 36.22 1twh n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1twh n GLY 207 N -1.44 3.08 3.72 7.41 0.00 0.33 -4.49 105.19 113.80 1twh n GLY 207 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1twh n GLY 207 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1twh s SER 208 N -0.37 6.85 -0.19 1.61 0.15 -1.05 -4.47 113.70 116.23 1twh s SER 208 Ca 0.00 1.02 -0.29 0.00 0.70 0.00 0.00 55.95 57.38 1twh s SER 208 Cb 0.00 -2.35 -0.03 0.00 -1.71 0.00 0.00 66.02 61.93 1twh s SER 208 CO 0.00 -0.05 1.59 -1.61 1.20 0.00 0.00 173.24 174.37 1twh s GLU 209 N 0.67 3.89 -0.06 5.44 2.02 -1.26 -2.32 118.70 127.09 1twh s GLU 209 Ca 0.32 1.75 0.06 0.00 0.02 0.00 0.00 54.97 57.12 1twh s GLU 209 Cb -0.17 -4.01 -0.01 0.00 0.10 0.00 0.00 34.13 30.04 1twh s GLU 209 CO 0.15 -1.17 -0.24 0.15 0.02 0.00 0.00 175.26 174.16 1twh s LYS 210 N 4.48 2.52 -0.05 1.61 -0.14 -0.03 -0.68 119.74 127.46 1twh s LYS 210 Ca 0.70 -0.89 0.06 0.00 -1.36 0.00 0.00 55.97 54.48 1twh s LYS 210 Cb -0.26 -2.18 -0.01 0.00 -1.68 0.00 0.00 37.83 33.70 1twh s LYS 210 CO 0.28 0.41 -0.22 0.54 -0.76 0.00 0.00 175.35 175.60 1twh s VAL 211 N -0.24 1.83 -0.11 3.17 0.11 0.10 -1.75 120.40 123.52 1twh s VAL 211 Ca -0.01 -0.95 -0.13 0.00 -2.93 0.00 0.00 61.98 57.95 1twh s VAL 211 Cb -0.13 -1.55 -0.05 0.00 -1.53 0.00 0.00 36.38 33.12 1twh s VAL 211 CO 0.03 0.52 0.31 -0.76 -3.33 0.00 0.00 175.10 171.87 1twh s LEU 212 N -0.18 4.33 -0.14 2.54 1.43 -1.26 -1.35 118.68 124.05 1twh s LEU 212 Ca -0.01 0.64 -0.09 0.00 -1.03 0.00 0.00 54.13 53.64 1twh s LEU 212 Cb -0.12 -2.40 -0.05 0.00 0.03 0.00 0.00 46.19 43.65 1twh s LEU 212 CO 0.02 0.20 0.17 -0.63 0.23 0.00 0.00 176.35 176.35 1twh s ILE 213 N -0.17 5.42 0.25 -0.59 1.09 -0.95 -4.79 121.20 121.45 1twh s ILE 213 Ca 0.19 0.29 -0.31 0.00 -1.10 0.00 0.00 60.65 59.72 1twh s ILE 213 Cb -0.14 -3.47 -0.12 0.00 -1.06 0.00 0.00 42.46 37.67 1twh s ILE 213 CO 0.07 0.54 1.64 0.00 -0.10 0.00 0.00 174.94 177.08 1twh n ALA 214 N 2.61 2.56 -2.80 9.38 0.00 -1.21 -4.84 120.51 126.22 1twh n ALA 214 Ca -0.17 0.39 -0.35 0.00 0.00 0.00 0.00 53.44 53.30 1twh n ALA 214 Cb 0.54 -2.48 -0.08 0.00 0.00 0.00 0.00 19.45 17.43 1twh n ALA 214 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1twh s GLN 215 N 0.19 3.73 -0.15 0.00 -1.52 -0.18 -0.80 119.66 120.93 1twh s GLN 215 Ca 0.69 -0.25 -0.27 0.00 -1.95 0.00 0.00 55.36 53.58 1twh s GLN 215 Cb -0.51 -3.20 -0.01 0.00 -0.22 0.00 0.00 33.01 29.06 1twh s GLN 215 CO 0.42 0.50 0.89 -2.00 -0.25 0.00 0.00 175.29 174.85 1twh s GLU 216 N -0.24 4.33 0.33 2.91 2.12 -1.01 -0.23 118.70 126.91 1twh s GLU 216 Ca 0.09 1.14 0.03 0.00 0.36 0.00 0.00 54.97 56.60 1twh s GLU 216 Cb -0.12 -3.57 -0.01 0.00 0.26 0.00 0.00 34.13 30.69 1twh s GLU 216 CO 0.01 -0.33 0.12 2.89 -0.54 0.00 0.00 175.26 177.41 1twh n ARG 217 N 5.19 0.65 -2.16 4.30 1.85 0.48 -4.46 116.66 122.51 1twh n ARG 217 Ca 0.06 -2.77 -0.28 0.00 -1.00 0.00 0.00 57.85 53.87 1twh n ARG 217 Cb 0.49 1.51 0.05 0.00 -1.05 0.00 0.00 32.46 33.46 1twh n ARG 217 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1twh s SER 218 N -3.01 5.25 0.63 2.89 0.01 -1.26 -1.48 113.70 116.73 1twh s SER 218 Ca 0.17 0.77 -0.07 0.00 1.31 0.00 0.00 55.95 58.12 1twh s SER 218 Cb 0.01 -1.57 0.02 0.00 0.21 0.00 0.00 66.02 64.68 1twh s SER 218 CO 0.12 -1.35 0.96 0.00 0.41 0.00 0.00 173.24 173.37 1twh s ALA 219 N -3.21 3.19 0.52 1.44 0.00 -1.02 -4.61 121.76 118.07 1twh s ALA 219 Ca 0.57 -0.65 0.06 0.00 0.00 0.00 0.00 51.96 51.95 1twh s ALA 219 Cb -0.11 -2.70 0.03 0.00 0.00 0.00 0.00 23.12 20.34 1twh s ALA 219 CO 0.47 -0.95 0.43 0.20 0.00 0.00 0.00 175.76 175.91 1twh s GLY 220 N -4.35 2.27 -0.22 0.00 0.00 -1.26 -4.50 107.32 99.27 1twh s GLY 220 Ca 0.56 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.79 1twh s GLY 220 CO 0.47 -1.88 0.00 0.70 0.00 0.00 0.00 173.10 172.39 1twh n ASN 221 N -1.75 -3.41 -4.46 1.64 3.02 -0.85 -4.98 115.26 104.46 1twh n ASN 221 Ca 0.01 0.05 -0.33 0.00 -0.03 0.00 0.00 54.58 54.28 1twh n ASN 221 Cb 0.64 -1.09 -0.13 0.00 -0.61 0.00 0.00 39.78 38.58 1twh n ASN 221 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1twh s ILE 222 N -2.02 3.02 -0.13 2.41 -1.09 -1.26 -4.59 121.20 117.54 1twh s ILE 222 Ca 0.00 -0.74 -0.21 0.00 -2.23 0.00 0.00 60.65 57.48 1twh s ILE 222 Cb 0.00 -2.18 -0.03 0.00 -1.58 0.00 0.00 42.46 38.66 1twh s ILE 222 CO 0.00 0.59 0.60 -0.69 -1.23 0.00 0.00 174.94 174.21 1twh s VAL 223 N -0.66 5.09 -0.05 2.92 1.01 -1.26 -4.37 120.40 123.08 1twh s VAL 223 Ca 0.10 1.19 0.01 0.00 0.00 0.00 0.00 61.98 63.28 1twh s VAL 223 Cb -0.11 -3.93 0.02 0.00 0.00 0.00 0.00 36.38 32.36 1twh s VAL 223 CO 0.01 0.23 -0.05 -1.10 0.00 0.00 0.00 175.10 174.19 1twh s GLN 224 N 1.11 0.90 0.03 2.72 -0.21 -0.86 -4.94 119.66 118.42 1twh s GLN 224 Ca 0.31 -0.13 0.00 0.00 0.02 0.00 0.00 55.36 55.56 1twh s GLN 224 Cb -0.16 -0.90 -0.04 0.00 1.00 0.00 0.00 33.01 32.91 1twh s GLN 224 CO 0.13 -0.08 0.12 0.08 -2.12 0.00 0.00 175.29 173.41 1twh s VAL 225 N 0.95 4.88 -0.10 1.09 1.01 -1.26 -1.47 120.40 125.50 1twh s VAL 225 Ca -0.11 -0.47 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 1twh s VAL 225 Cb -0.14 -3.30 0.05 0.00 0.00 0.00 0.00 36.38 32.98 1twh s VAL 225 CO 0.00 0.25 0.23 -0.36 0.00 0.00 0.00 175.10 175.22 1twh s PHE 226 N -1.32 -0.31 0.95 5.22 2.99 -0.53 -2.07 117.98 122.92 1twh s PHE 226 Ca 0.27 0.75 -0.14 0.00 0.00 0.00 0.00 56.93 57.82 1twh s PHE 226 Cb -0.12 0.03 0.16 0.00 0.00 0.00 0.00 43.02 43.09 1twh s PHE 226 CO 0.19 -0.23 1.16 0.15 -0.00 0.00 0.00 175.22 176.49 1twh s LYS 227 N 1.26 0.77 -0.02 0.44 1.02 -1.26 -2.12 119.74 119.83 1twh s LYS 227 Ca -0.09 0.16 0.03 0.00 0.02 0.00 0.00 55.97 56.09 1twh s LYS 227 Cb -0.11 -1.81 0.00 0.00 -0.52 0.00 0.00 37.83 35.40 1twh s LYS 227 CO -0.08 -2.42 -0.10 0.15 -0.92 0.00 0.00 175.35 171.98 1twh s LYS 228 N -5.37 1.01 0.15 1.68 1.02 -1.11 -4.88 119.74 112.25 1twh s LYS 228 Ca 0.66 -0.34 -0.31 0.00 0.02 0.00 0.00 55.97 56.00 1twh s LYS 228 Cb -0.13 -0.94 -0.08 0.00 -0.52 0.00 0.00 37.83 36.16 1twh s LYS 228 CO 0.54 0.14 1.31 0.00 -0.92 0.00 0.00 175.35 176.42 1twh s ALA 229 N 0.11 3.52 0.00 5.17 0.00 -1.26 -4.75 121.76 124.56 1twh s ALA 229 Ca -0.02 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1twh s ALA 229 Cb -0.08 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1twh s ALA 229 CO 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 175.76 175.23 1twh n ALA 230 N 3.23 0.00 0.00 0.00 0.00 -1.26 -2.28 120.51 120.21 1twh n ALA 230 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1twh n ALA 230 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1twh n ALA 230 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1twh n PRO 231 N 0.00 0.00 -3.02 0.00 -0.04 -1.26 -4.76 135.00 125.93 1twh n PRO 231 Ca 0.00 0.26 -0.37 0.00 -0.04 0.00 0.00 63.50 63.35 1twh n PRO 231 Cb 0.00 -1.54 -0.06 0.00 -0.04 0.00 0.00 33.50 31.86 1twh n PRO 231 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1twh s SER 232 N -2.46 7.15 0.35 3.54 0.15 -0.96 -4.96 113.70 116.50 1twh s SER 232 Ca 0.00 1.54 0.23 0.00 0.70 0.00 0.00 55.95 58.42 1twh s SER 232 Cb 0.00 -2.46 0.34 0.00 -1.71 0.00 0.00 66.02 62.19 1twh s SER 232 CO 0.00 0.03 1.51 1.55 1.20 0.00 0.00 173.24 177.52 1twh h PRO 233 N 3.45 0.00 -6.37 5.44 0.13 -1.90 -3.45 132.00 129.30 1twh h PRO 233 Ca -0.48 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.11 1twh h PRO 233 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1twh h PRO 233 CO 0.65 0.00 -0.16 0.42 -0.23 0.00 0.00 178.00 178.68 1twh s ILE 234 N -3.22 4.98 -0.04 -3.56 1.01 -1.26 -1.18 121.20 117.93 1twh s ILE 234 Ca 0.06 0.39 0.07 0.00 0.00 0.00 0.00 60.65 61.17 1twh s ILE 234 Cb 0.07 -3.62 -0.10 0.00 0.01 0.00 0.00 42.46 38.82 1twh s ILE 234 CO 0.69 -0.03 0.10 -1.54 0.00 0.00 0.00 174.94 174.15 1twh n SER 235 N -0.05 3.26 -3.66 3.58 3.41 0.08 -4.70 113.62 115.54 1twh n SER 235 Ca -0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 1twh n SER 235 Cb 0.52 1.03 -0.03 0.00 -0.26 0.00 0.00 64.21 65.47 1twh n SER 235 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1twh s HIS 236 N -2.36 -0.24 0.01 7.33 3.76 -1.15 -2.74 115.29 119.90 1twh s HIS 236 Ca -0.03 -0.08 -0.04 0.00 -0.15 0.00 0.00 55.06 54.76 1twh s HIS 236 Cb 0.04 0.45 -0.01 0.00 1.11 0.00 0.00 32.58 34.16 1twh s HIS 236 CO 0.30 -0.90 0.06 0.08 -0.85 0.00 0.00 174.74 173.43 1twh s VAL 237 N -3.84 0.09 0.05 -0.90 1.01 -0.90 -0.76 120.40 115.15 1twh s VAL 237 Ca 0.07 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.35 1twh s VAL 237 Cb -0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 1twh s VAL 237 CO -0.06 -0.41 -0.18 0.00 0.00 0.00 0.00 175.10 174.45 1twh s ALA 238 N -1.34 1.51 -0.05 5.51 0.00 0.13 -1.45 121.76 126.07 1twh s ALA 238 Ca -0.15 -0.99 -0.08 0.00 0.00 0.00 0.00 51.96 50.74 1twh s ALA 238 Cb -0.08 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.79 1twh s ALA 238 CO 0.00 0.31 0.19 -2.00 0.00 0.00 0.00 175.76 174.27 1twh s GLU 239 N -1.28 0.35 0.03 0.00 2.12 -0.54 -1.35 118.70 118.03 1twh s GLU 239 Ca 0.05 0.04 -0.03 0.00 0.36 0.00 0.00 54.97 55.39 1twh s GLU 239 Cb -0.09 0.16 -0.02 0.00 0.26 0.00 0.00 34.13 34.44 1twh s GLU 239 CO 0.02 -0.07 0.03 -1.50 -0.54 0.00 0.00 175.26 173.20 1twh s ILE 240 N -0.46 0.14 -0.53 -3.70 2.07 -0.83 -2.03 121.20 115.85 1twh s ILE 240 Ca -0.06 -1.12 -0.01 0.00 -1.41 0.00 0.00 60.65 58.05 1twh s ILE 240 Cb -0.04 -0.72 0.14 0.00 0.13 0.00 0.00 42.46 41.97 1twh s ILE 240 CO 0.01 -0.62 0.32 -0.13 -1.91 0.00 0.00 174.94 172.61 1twh s ARG 241 N -2.29 2.25 0.11 3.50 0.52 -1.26 -2.19 118.95 119.58 1twh s ARG 241 Ca -0.08 -2.31 -0.25 0.00 -0.52 0.00 0.00 55.73 52.56 1twh s ARG 241 Cb -0.04 -3.59 -0.07 0.00 0.52 0.00 0.00 34.95 31.78 1twh s ARG 241 CO -0.04 -1.12 0.78 0.45 0.02 0.00 0.00 175.30 175.39 1twh s SER 242 N 0.85 7.31 0.28 0.23 0.15 -0.10 -2.01 113.70 120.40 1twh s SER 242 Ca 0.14 1.56 -0.18 0.00 0.70 0.00 0.00 55.95 58.17 1twh s SER 242 Cb -0.22 -2.49 0.01 0.00 -1.71 0.00 0.00 66.02 61.62 1twh s SER 242 CO -0.03 0.11 0.64 0.00 1.20 0.00 0.00 173.24 175.15 1twh s ALA 243 N -0.59 -0.84 -0.02 5.45 0.00 -1.26 -3.53 121.76 120.96 1twh s ALA 243 Ca 0.37 -0.54 0.07 0.00 0.00 0.00 0.00 51.96 51.87 1twh s ALA 243 Cb -0.22 0.92 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 1twh s ALA 243 CO 0.25 -0.97 -0.22 -0.51 0.00 0.00 0.00 175.76 174.30 1twh s LEU 244 N -2.96 2.04 -0.09 0.00 1.43 -1.26 -4.56 118.68 113.28 1twh s LEU 244 Ca 0.15 -0.41 -0.22 0.00 -1.03 0.00 0.00 54.13 52.62 1twh s LEU 244 Cb -0.04 -1.16 -0.19 0.00 0.03 0.00 0.00 46.19 44.83 1twh s LEU 244 CO 0.08 0.27 0.78 -0.33 0.23 0.00 0.00 176.35 177.39 1twh h GLU 245 N 5.64 -0.07 -5.68 1.70 5.08 -2.01 -3.45 114.58 115.79 1twh h GLU 245 Ca -0.40 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.35 1twh h GLU 245 Cb 1.14 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.32 1twh h GLU 245 CO 0.48 0.54 -0.33 0.15 -1.00 0.00 0.00 179.01 178.85 1twh s LYS 246 N -2.84 3.94 0.00 2.33 1.02 -1.26 -4.86 119.74 118.07 1twh s LYS 246 Ca -0.14 0.12 0.00 0.00 0.02 0.00 0.00 55.97 55.97 1twh s LYS 246 Cb -0.01 -3.30 0.00 0.00 -0.52 0.00 0.00 37.83 34.00 1twh s LYS 246 CO 0.53 0.52 0.00 0.41 -0.92 0.00 0.00 175.35 175.89 1twh n GLY 247 N 2.55 0.87 0.00 -3.33 0.00 -1.26 -5.06 105.19 98.96 1twh n GLY 247 Ca -0.15 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1twh n GLY 247 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1twh n SER 248 N 0.00 1.58 -2.64 1.61 7.64 -1.26 -4.92 113.62 115.62 1twh n SER 248 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 1twh n SER 248 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1twh n SER 248 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1twh n ARG 249 N 0.00 3.29 -1.84 1.43 0.63 -1.26 -4.57 116.66 114.33 1twh n ARG 249 Ca 0.00 -4.59 -0.42 0.00 -0.92 0.00 0.00 57.85 51.92 1twh n ARG 249 Cb 0.00 -2.22 -0.03 0.00 0.45 0.00 0.00 32.46 30.66 1twh n ARG 249 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1twh s PHE 250 N -3.50 1.85 -0.83 -0.14 0.40 -1.26 -4.91 117.98 109.60 1twh s PHE 250 Ca 0.48 -0.03 0.02 0.00 -0.60 0.00 0.00 56.93 56.80 1twh s PHE 250 Cb 0.36 -4.07 0.28 0.00 0.51 0.00 0.00 43.02 40.10 1twh s PHE 250 CO -0.17 -4.56 1.10 -0.89 0.70 0.00 0.00 175.22 171.41 1twh n ILE 251 N 5.27 3.76 -1.87 0.64 2.08 -1.26 -4.21 119.36 123.77 1twh n ILE 251 Ca 0.18 -5.57 -0.42 0.00 0.56 0.00 0.00 62.75 57.51 1twh n ILE 251 Cb 0.41 -2.03 -0.02 0.00 -0.75 0.00 0.00 39.64 37.25 1twh n ILE 251 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 1twh s SER 252 N -2.23 6.50 -0.27 4.38 0.01 -1.23 -4.85 113.70 116.01 1twh s SER 252 Ca 0.37 2.79 -0.07 0.00 1.31 0.00 0.00 55.95 60.35 1twh s SER 252 Cb 0.12 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.73 1twh s SER 252 CO 0.03 -0.84 0.06 -0.89 0.41 0.00 0.00 173.24 172.00 1twh s THR 253 N 0.43 3.98 -0.10 1.44 2.01 -1.26 -0.92 115.64 121.21 1twh s THR 253 Ca 0.65 -0.50 -0.18 0.00 0.31 0.00 0.00 61.69 61.97 1twh s THR 253 Cb -0.46 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 1twh s THR 253 CO 0.40 0.21 0.47 -0.22 -0.69 0.00 0.00 174.62 174.80 1twh s LEU 254 N 1.53 4.30 0.12 4.42 2.96 -0.93 -4.83 118.68 126.25 1twh s LEU 254 Ca 0.04 0.84 0.08 0.00 -0.22 0.00 0.00 54.13 54.88 1twh s LEU 254 Cb -0.16 -2.69 -0.04 0.00 0.50 0.00 0.00 46.19 43.80 1twh s LEU 254 CO 0.02 0.04 -0.21 -1.10 -1.32 0.00 0.00 176.35 173.78 1twh s GLN 255 N 0.40 1.18 -0.26 1.98 -0.21 -1.24 -1.97 119.66 119.53 1twh s GLN 255 Ca 0.26 -1.23 0.03 0.00 0.02 0.00 0.00 55.36 54.43 1twh s GLN 255 Cb -0.15 -1.41 0.06 0.00 1.00 0.00 0.00 33.01 32.51 1twh s GLN 255 CO 0.11 0.32 -0.08 0.08 -2.12 0.00 0.00 175.29 173.60 1twh s VAL 256 N -1.35 2.05 -0.15 1.09 1.01 -0.46 -1.20 120.40 121.39 1twh s VAL 256 Ca 0.09 -1.64 -0.03 0.00 0.00 0.00 0.00 61.98 60.40 1twh s VAL 256 Cb -0.09 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 1twh s VAL 256 CO 0.05 -0.11 -0.05 -0.54 0.00 0.00 0.00 175.10 174.44 1twh s LYS 257 N 1.14 3.62 -0.49 2.72 1.02 -0.47 0.19 119.74 127.46 1twh s LYS 257 Ca -0.06 -0.55 -0.23 0.00 0.02 0.00 0.00 55.97 55.15 1twh s LYS 257 Cb -0.20 -2.87 0.04 0.00 -0.52 0.00 0.00 37.83 34.28 1twh s LYS 257 CO -0.06 0.23 0.81 -1.17 -0.92 0.00 0.00 175.35 174.24 1twh s LEU 258 N 0.38 4.32 0.39 3.17 2.96 0.06 -2.71 118.68 127.26 1twh s LEU 258 Ca -0.05 -0.33 -0.23 0.00 -0.22 0.00 0.00 54.13 53.30 1twh s LEU 258 Cb -0.14 -2.83 -0.11 0.00 0.50 0.00 0.00 46.19 43.61 1twh s LEU 258 CO 0.03 -1.01 0.95 -0.31 -1.32 0.00 0.00 176.35 174.69 1twh s TYR 259 N 3.40 3.45 0.00 5.38 1.51 -0.80 -0.74 117.35 129.55 1twh s TYR 259 Ca 0.27 1.67 0.00 0.00 -1.01 0.00 0.00 57.07 58.01 1twh s TYR 259 Cb -0.13 -2.88 0.00 0.00 -0.11 0.00 0.00 41.96 38.83 1twh s TYR 259 CO 0.20 -0.01 0.00 0.41 -1.11 0.00 0.00 175.55 175.04 1twh n GLY 260 N -0.17 -1.30 3.98 0.71 0.00 -0.32 -2.96 105.19 105.12 1twh n GLY 260 Ca 0.05 -1.39 -0.19 0.00 0.00 0.00 0.00 46.02 44.49 1twh n GLY 260 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1twh s ARG 261 N -4.49 2.95 -0.34 1.61 0.52 -1.26 -3.95 118.95 114.00 1twh s ARG 261 Ca 0.00 -1.14 -0.40 0.00 -0.52 0.00 0.00 55.73 53.67 1twh s ARG 261 Cb 0.00 -2.74 -0.15 0.00 0.52 0.00 0.00 34.95 32.57 1twh s ARG 261 CO 0.00 -0.06 1.88 0.39 0.02 0.00 0.00 175.30 177.53 1twh n GLU 262 N -1.68 0.93 -2.77 3.54 1.02 -1.26 0.51 120.64 120.93 1twh n GLU 262 Ca 0.03 0.32 -0.27 0.00 -0.02 0.00 0.00 57.16 57.22 1twh n GLU 262 Cb 0.59 -2.07 0.03 0.00 -0.02 0.00 0.00 31.44 29.96 1twh n GLU 262 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1twh n GLY 263 N 5.07 0.06 0.00 0.62 0.00 -1.26 -5.08 105.19 104.61 1twh n GLY 263 Ca 0.33 0.77 0.00 0.00 0.00 0.00 0.00 46.02 47.12 1twh n GLY 263 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1twh n SER 264 N 0.07 -0.24 -4.75 1.61 7.64 1.90 -5.11 113.62 114.74 1twh n SER 264 Ca -0.07 -0.29 -0.36 0.00 1.01 0.00 0.00 58.87 59.16 1twh n SER 264 Cb 0.47 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.60 1twh n SER 264 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1twh s SER 265 N -1.30 6.43 -0.22 6.43 1.04 -1.26 -4.78 113.70 120.04 1twh s SER 265 Ca 0.00 0.50 -0.17 0.00 0.48 0.00 0.00 55.95 56.76 1twh s SER 265 Cb 0.00 -2.16 0.03 0.00 0.10 0.00 0.00 66.02 63.98 1twh s SER 265 CO 0.00 0.16 0.30 0.00 0.98 0.00 0.00 173.24 174.67 1twh n ALA 266 N 3.28 -2.25 -2.28 5.32 0.00 -1.26 -4.89 120.51 118.44 1twh n ALA 266 Ca -0.13 0.22 -0.43 0.00 0.00 0.00 0.00 53.44 53.10 1twh n ALA 266 Cb 0.52 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.57 1twh n ALA 266 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1twh s ARG 267 N -1.69 4.14 0.47 0.00 0.52 -1.26 -4.80 118.95 116.33 1twh s ARG 267 Ca 0.17 1.77 0.06 0.00 -0.52 0.00 0.00 55.73 57.21 1twh s ARG 267 Cb -0.02 -3.86 -0.00 0.00 0.52 0.00 0.00 34.95 31.58 1twh s ARG 267 CO 0.43 -0.84 0.34 -0.08 0.02 0.00 0.00 175.30 175.17 1twh s THR 268 N 3.91 2.09 0.00 0.02 -1.32 -1.16 -4.68 115.64 114.51 1twh s THR 268 Ca 0.62 -1.51 0.06 0.00 -1.21 0.00 0.00 61.69 59.65 1twh s THR 268 Cb -0.25 -2.60 -0.02 0.00 -1.51 0.00 0.00 72.50 68.13 1twh s THR 268 CO 0.21 0.00 -0.19 -0.63 -2.21 0.00 0.00 174.62 171.80 1twh s ILE 269 N -2.65 1.49 0.16 5.08 1.01 -1.26 -1.90 121.20 123.13 1twh s ILE 269 Ca 0.39 -0.90 -0.05 0.00 0.00 0.00 0.00 60.65 60.10 1twh s ILE 269 Cb -0.01 -1.26 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 1twh s ILE 269 CO 0.23 0.34 0.18 -0.54 0.00 0.00 0.00 174.94 175.16 1twh s LYS 270 N -0.65 1.09 0.06 2.79 1.02 -1.10 -2.43 119.74 120.53 1twh s LYS 270 Ca 0.07 -1.35 0.03 0.00 0.02 0.00 0.00 55.97 54.75 1twh s LYS 270 Cb -0.08 0.31 -0.03 0.00 -0.52 0.00 0.00 37.83 37.52 1twh s LYS 270 CO -0.00 -0.36 -0.10 0.00 -0.92 0.00 0.00 175.35 173.96 1twh s ALA 271 N -4.03 0.87 -0.35 5.17 0.00 0.13 -1.36 121.76 122.20 1twh s ALA 271 Ca 0.23 -0.92 -0.10 0.00 0.00 0.00 0.00 51.96 51.16 1twh s ALA 271 Cb 0.05 -0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.18 1twh s ALA 271 CO 0.03 0.04 0.19 0.99 0.00 0.00 0.00 175.76 177.00 1twh s THR 272 N -1.56 4.61 0.35 0.00 2.01 -0.34 -1.58 115.64 119.12 1twh s THR 272 Ca -0.04 -0.66 -0.01 0.00 0.31 0.00 0.00 61.69 61.29 1twh s THR 272 Cb -0.09 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 1twh s THR 272 CO 0.01 -0.10 0.57 -0.76 -0.69 0.00 0.00 174.62 173.65 1twh s LEU 273 N 1.58 3.98 0.09 4.42 1.43 -1.26 -3.65 118.68 125.28 1twh s LEU 273 Ca 0.03 0.54 -0.31 0.00 -1.03 0.00 0.00 54.13 53.37 1twh s LEU 273 Cb -0.18 -3.40 -0.06 0.00 0.03 0.00 0.00 46.19 42.57 1twh s LEU 273 CO 0.07 -0.31 1.21 -2.16 0.23 0.00 0.00 176.35 175.39 1twh s PRO 274 N -4.23 4.44 0.00 1.29 0.04 -1.26 -2.70 135.00 132.57 1twh s PRO 274 Ca 0.41 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.26 1twh s PRO 274 Cb -0.10 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1twh s PRO 274 CO 0.36 -0.23 0.00 0.66 0.04 0.00 0.00 177.00 177.83 1twh n TYR 275 N 3.62 0.00 -5.11 0.56 4.02 -1.26 -4.99 117.16 113.99 1twh n TYR 275 Ca 0.08 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.66 1twh n TYR 275 Cb 0.46 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.61 1twh n TYR 275 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1twh s ILE 276 N -2.07 1.90 -1.35 -0.72 -1.09 -1.10 -4.53 121.20 112.23 1twh s ILE 276 Ca 0.00 -0.93 0.14 0.00 -2.23 0.00 0.00 60.65 57.63 1twh s ILE 276 Cb 0.00 -1.65 0.30 0.00 -1.58 0.00 0.00 42.46 39.52 1twh s ILE 276 CO 0.00 0.53 1.20 0.29 -1.23 0.00 0.00 174.94 175.72 1twh n LYS 277 N 3.54 2.22 -4.71 2.79 4.01 -0.67 -4.67 118.16 120.67 1twh n LYS 277 Ca -0.20 -1.91 -0.26 0.00 -0.51 0.00 0.00 58.31 55.44 1twh n LYS 277 Cb 0.53 -1.32 -0.14 0.00 -0.51 0.00 0.00 35.03 33.59 1twh n LYS 277 CO 0.00 0.00 0.00 -1.14 -1.11 0.00 0.00 177.40 175.15 1twh s GLN 278 N -1.05 1.42 0.40 1.97 0.74 -1.26 -5.12 119.66 116.76 1twh s GLN 278 Ca 0.25 -0.88 -0.26 0.00 0.05 0.00 0.00 55.36 54.52 1twh s GLN 278 Cb 0.14 -1.49 -0.09 0.00 1.10 0.00 0.00 33.01 32.67 1twh s GLN 278 CO 0.19 0.39 1.33 -0.51 -0.55 0.00 0.00 175.29 176.14 1twh s ASP 279 N -1.01 6.30 -0.22 6.67 1.01 -1.26 -4.71 116.67 123.45 1twh s ASP 279 Ca 0.07 2.72 -0.08 0.00 0.71 0.00 0.00 52.55 55.97 1twh s ASP 279 Cb -0.08 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.16 1twh s ASP 279 CO 0.01 -0.86 0.08 -0.63 0.21 0.00 0.00 175.17 173.98 1twh s ILE 280 N -1.23 4.68 0.16 0.77 -1.09 -0.61 -4.81 121.20 119.07 1twh s ILE 280 Ca 0.56 -0.06 -0.33 0.00 -2.23 0.00 0.00 60.65 58.60 1twh s ILE 280 Cb -0.40 -3.15 -0.16 0.00 -1.58 0.00 0.00 42.46 37.17 1twh s ILE 280 CO 0.51 0.39 1.06 -2.65 -1.23 0.00 0.00 174.94 173.02 1twh n PRO 281 N 4.23 0.89 0.17 2.79 -0.02 -1.26 0.22 135.00 142.01 1twh n PRO 281 Ca -0.16 0.32 0.04 0.00 -2.02 0.00 0.00 63.50 61.67 1twh n PRO 281 Cb 0.52 -1.74 0.26 0.00 -0.02 0.00 0.00 33.50 32.52 1twh n PRO 281 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 1twh h ILE 282 N 2.44 1.02 0.00 4.25 -2.65 -1.82 -1.30 117.51 119.46 1twh h ILE 282 Ca -0.42 -1.76 -0.10 0.00 1.03 0.00 0.00 64.86 63.60 1twh h ILE 282 Cb 1.37 2.04 -0.01 0.00 -2.05 0.00 0.00 36.82 38.17 1twh h ILE 282 CO 0.67 0.45 -0.49 0.58 0.03 0.00 0.00 178.15 179.39 1twh h VAL 283 N 0.00 1.29 -0.40 0.16 2.07 -1.86 -1.90 116.25 115.62 1twh h VAL 283 Ca -0.00 -1.72 -0.02 0.00 0.82 0.00 0.00 66.70 65.78 1twh h VAL 283 Cb 1.01 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.70 1twh h VAL 283 CO 0.06 0.48 0.16 0.40 0.02 0.00 0.00 177.57 178.69 1twh h ILE 284 N 0.00 1.19 -0.84 4.57 5.03 -1.59 -1.32 117.51 124.55 1twh h ILE 284 Ca -0.00 -0.59 0.12 0.00 -0.12 0.00 0.00 64.86 64.26 1twh h ILE 284 Cb 0.90 0.84 -0.08 0.00 -3.03 0.00 0.00 36.82 35.45 1twh h ILE 284 CO 0.06 0.21 0.47 0.40 -0.68 0.00 0.00 178.15 178.62 1twh h ILE 285 N 0.50 0.83 -0.37 -0.67 2.04 -1.06 -1.01 117.51 117.77 1twh h ILE 285 Ca 0.13 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1twh h ILE 285 Cb 0.18 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.28 1twh h ILE 285 CO -0.01 0.13 0.24 -0.26 0.00 0.00 0.00 178.15 178.26 1twh h PHE 286 N 0.73 0.46 0.00 1.37 -1.00 -1.11 0.12 116.94 117.52 1twh h PHE 286 Ca 0.43 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 61.22 1twh h PHE 286 Cb 0.49 -0.16 -0.00 0.00 3.61 0.00 0.00 35.95 39.90 1twh h PHE 286 CO -0.07 0.29 -0.03 0.00 -1.61 0.00 0.00 178.31 176.89 1twh h ARG 287 N 0.50 0.00 0.00 1.51 3.08 -0.06 -1.22 114.38 118.19 1twh h ARG 287 Ca 0.13 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 1twh h ARG 287 Cb -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1twh h ARG 287 CO -0.03 0.03 -0.38 0.00 -1.07 0.00 0.00 179.97 178.52 1twh h ALA 288 N 1.97 0.81 -0.02 0.04 0.00 -0.40 0.52 119.26 122.17 1twh h ALA 288 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1twh h ALA 288 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1twh h ALA 288 CO 0.00 0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.80 1twh n LEU 289 N -3.08 0.44 0.00 0.00 4.77 -0.05 -4.88 117.00 114.21 1twh n LEU 289 Ca 0.02 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1twh n LEU 289 Cb 0.62 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1twh n LEU 289 CO 0.37 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1twh n GLY 290 N 0.98 0.68 3.30 -0.72 0.00 0.18 -4.89 105.19 104.73 1twh n GLY 290 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1twh n GLY 290 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1twh s ILE 291 N -2.39 4.36 -0.22 -0.61 -1.09 -0.89 -4.96 121.20 115.40 1twh s ILE 291 Ca 0.00 -1.24 -0.14 0.00 -2.23 0.00 0.00 60.65 57.04 1twh s ILE 291 Cb 0.00 -3.60 -0.18 0.00 -1.58 0.00 0.00 42.46 37.10 1twh s ILE 291 CO 0.00 -0.43 0.02 -0.38 -1.23 0.00 0.00 174.94 172.92 1twh n ILE 292 N 4.95 1.57 -2.28 2.92 -0.00 -1.26 -3.29 119.36 121.97 1twh n ILE 292 Ca -0.11 -0.30 -0.41 0.00 -0.00 0.00 0.00 62.75 61.93 1twh n ILE 292 Cb 0.44 -1.87 -0.03 0.00 -0.00 0.00 0.00 39.64 38.17 1twh n ILE 292 CO 0.00 0.00 0.00 -2.84 -0.00 0.00 0.00 176.55 173.71 1twh s PRO 293 N -2.46 4.45 0.31 0.38 0.02 -1.26 -4.92 135.00 131.53 1twh s PRO 293 Ca -0.31 2.00 0.03 0.00 0.02 0.00 0.00 61.00 62.74 1twh s PRO 293 Cb 0.09 -3.18 0.80 0.00 0.02 0.00 0.00 34.50 32.23 1twh s PRO 293 CO 0.59 -0.11 1.57 -0.44 -0.33 0.00 0.00 177.00 178.28 1twh h ASP 294 N 4.63 -0.42 -0.48 2.53 3.45 -1.99 0.56 116.42 124.70 1twh h ASP 294 Ca -0.46 0.28 0.07 0.00 0.43 0.00 0.00 57.03 57.35 1twh h ASP 294 Cb 1.22 0.47 -0.06 0.00 -0.56 0.00 0.00 39.33 40.40 1twh h ASP 294 CO 0.72 -0.36 0.14 1.23 -1.57 0.00 0.00 179.24 179.40 1twh h GLY 295 N 0.01 0.61 1.96 2.75 0.00 -1.98 0.29 103.07 106.70 1twh h GLY 295 Ca 0.62 -0.07 -0.13 0.00 0.00 0.00 0.00 47.33 47.75 1twh h GLY 295 CO -0.91 -0.01 -0.61 0.83 0.00 0.00 0.00 176.54 175.83 1twh h GLU 296 N 0.30 0.04 0.03 4.80 5.08 -1.28 -1.26 114.58 122.30 1twh h GLU 296 Ca 0.23 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.36 1twh h GLU 296 Cb 0.26 0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.54 1twh h GLU 296 CO -0.26 0.64 -0.81 0.82 -1.00 0.00 0.00 179.01 178.41 1twh h ILE 297 N 0.03 1.39 0.00 3.13 1.08 -0.68 -2.90 117.51 119.56 1twh h ILE 297 Ca -0.01 -2.22 -0.15 0.00 -0.39 0.00 0.00 64.86 62.10 1twh h ILE 297 Cb 1.09 2.64 -0.02 0.00 -3.07 0.00 0.00 36.82 37.46 1twh h ILE 297 CO 0.08 0.66 -0.70 -0.07 -0.69 0.00 0.00 178.15 177.43 1twh h LEU 298 N 0.02 0.00 -1.76 1.44 3.38 -0.25 -2.63 115.31 115.50 1twh h LEU 298 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1twh h LEU 298 Cb 1.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.26 1twh h LEU 298 CO 0.16 0.70 0.00 -0.08 0.09 0.00 0.00 178.44 179.31 1twh h GLU 299 N 0.00 0.00 0.00 1.13 4.81 -1.02 -0.67 114.58 118.82 1twh h GLU 299 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1twh h GLU 299 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1twh h GLU 299 CO 0.09 0.00 0.00 0.45 -0.73 0.00 0.00 179.01 178.82 1twh h HIS 300 N 0.00 0.00 0.00 0.92 3.86 -1.41 -3.38 115.15 115.14 1twh h HIS 300 Ca 0.00 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.88 1twh h HIS 300 Cb 0.26 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.68 1twh h HIS 300 CO 0.00 0.00 -2.05 -0.89 0.86 0.00 0.00 177.93 175.85 1twh n ILE 301 N -2.99 1.27 -3.81 2.45 5.41 -0.78 -3.95 119.36 116.95 1twh n ILE 301 Ca 0.02 -0.24 -0.35 0.00 1.00 0.00 0.00 62.75 63.18 1twh n ILE 301 Cb 0.41 -1.86 -0.12 0.00 -0.71 0.00 0.00 39.64 37.36 1twh n ILE 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1twh n TYR 303 N 4.11 0.94 -3.15 0.00 4.02 -1.26 -4.56 117.16 117.26 1twh n TYR 303 Ca 0.02 -1.83 0.06 0.00 -0.01 0.00 0.00 57.90 56.14 1twh n TYR 303 Cb 0.40 -1.55 -0.01 0.00 -0.02 0.00 0.00 39.34 38.16 1twh n TYR 303 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1twh s ASP 304 N 1.19 -0.37 0.56 7.72 -1.08 -1.26 -4.95 116.67 118.49 1twh s ASP 304 Ca 0.63 0.12 0.34 0.00 -0.52 0.00 0.00 52.55 53.12 1twh s ASP 304 Cb 0.34 1.26 1.58 0.00 -1.46 0.00 0.00 42.92 44.64 1twh s ASP 304 CO -0.11 -0.07 2.07 0.58 0.52 0.00 0.00 175.17 178.17 1twh h VAL 305 N 4.82 0.16 -0.13 1.11 2.07 -1.97 -2.07 116.25 120.24 1twh h VAL 305 Ca -0.11 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1twh h VAL 305 Cb 1.17 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1twh h VAL 305 CO -0.12 0.05 0.00 0.59 0.02 0.00 0.00 177.57 178.11 1twh n ASN 306 N -3.22 2.52 -2.98 0.57 3.02 -1.26 -4.68 115.26 109.23 1twh n ASN 306 Ca -0.01 -1.83 -0.02 0.00 -0.03 0.00 0.00 54.58 52.69 1twh n ASN 306 Cb 0.25 -0.07 -0.00 0.00 -0.61 0.00 0.00 39.78 39.35 1twh n ASN 306 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1twh n ASP 307 N 0.93 0.45 0.33 6.41 -0.08 -0.78 -4.66 116.55 119.15 1twh n ASP 307 Ca 0.17 -2.00 0.22 0.00 -1.51 0.00 0.00 54.79 51.67 1twh n ASP 307 Cb 0.50 -0.52 1.17 0.00 2.34 0.00 0.00 41.12 44.60 1twh n ASP 307 CO 0.00 0.00 0.00 4.11 0.12 0.00 0.00 177.20 181.43 1twh h TRP 308 N 7.70 0.00 -0.25 -0.67 5.08 -1.88 -1.37 115.95 124.56 1twh h TRP 308 Ca 0.04 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 59.86 1twh h TRP 308 Cb 0.02 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.17 1twh h TRP 308 CO 1.97 0.00 -0.49 1.96 -1.28 0.00 0.00 178.44 180.60 1twh h GLN 309 N 0.00 0.68 -0.56 0.12 4.20 -1.99 -1.90 115.11 115.66 1twh h GLN 309 Ca -0.00 -0.40 -0.09 0.00 0.06 0.00 0.00 58.65 58.22 1twh h GLN 309 Cb 0.01 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1twh h GLN 309 CO 0.00 1.01 -0.02 1.98 -0.67 0.00 0.00 178.83 181.14 1twh h MET 310 N 0.54 1.01 -0.12 1.46 4.05 -1.68 -2.98 114.93 117.20 1twh h MET 310 Ca 0.03 -0.33 -0.12 0.00 -0.28 0.00 0.00 59.70 59.00 1twh h MET 310 Cb 1.04 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.75 1twh h MET 310 CO 0.10 1.01 -0.44 -0.07 0.23 0.00 0.00 176.91 177.74 1twh h LEU 311 N 0.89 0.29 -1.42 3.39 3.38 -1.28 0.39 115.31 120.96 1twh h LEU 311 Ca 0.16 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1twh h LEU 311 Cb 0.57 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1twh h LEU 311 CO 0.03 0.70 -0.11 -0.08 0.09 0.00 0.00 178.44 179.07 1twh h GLU 312 N 0.22 0.00 0.00 1.13 4.57 -1.33 -1.19 114.58 117.99 1twh h GLU 312 Ca 0.02 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1twh h GLU 312 Cb 0.88 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.46 1twh h GLU 312 CO 0.07 0.11 -0.06 0.52 -1.18 0.00 0.00 179.01 178.47 1twh h MET 313 N 0.00 0.00 -0.02 1.92 2.86 -0.07 -2.89 114.93 116.74 1twh h MET 313 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1twh h MET 313 Cb 0.57 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1twh h MET 313 CO 0.01 0.06 -0.33 1.28 1.06 0.00 0.00 176.91 179.00 1twh n LEU 314 N -3.26 1.84 -0.24 1.22 4.77 -0.54 -4.26 117.00 116.53 1twh n LEU 314 Ca -0.01 -0.64 -0.04 0.00 -0.03 0.00 0.00 56.01 55.29 1twh n LEU 314 Cb 0.26 -0.03 0.06 0.00 -2.33 0.00 0.00 43.42 41.39 1twh n LEU 314 CO 0.27 0.33 1.14 0.50 -1.33 0.00 0.00 177.39 178.31 1twh h LYS 315 N 2.38 0.83 -0.17 3.23 3.64 -1.10 -0.97 116.57 124.41 1twh h LYS 315 Ca 0.00 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1twh h LYS 315 Cb 0.70 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1twh h LYS 315 CO 0.00 0.55 0.30 -1.35 -2.27 0.00 0.00 179.45 176.68 1twh h PRO 316 N 0.85 0.00 0.21 1.90 0.11 -1.80 0.24 132.00 133.52 1twh h PRO 316 Ca 0.26 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 66.05 1twh h PRO 316 Cb -0.02 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.11 1twh h PRO 316 CO -0.09 0.00 -1.47 0.00 -0.21 0.00 0.00 178.00 176.23 1twh h VAL 318 N 0.12 1.28 -0.29 0.00 2.07 0.34 -2.06 116.25 117.71 1twh h VAL 318 Ca -0.24 -1.42 0.09 0.00 0.82 0.00 0.00 66.70 65.94 1twh h VAL 318 Cb 2.12 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 33.15 1twh h VAL 318 CO 0.24 0.47 0.29 -0.33 0.02 0.00 0.00 177.57 178.26 1twh h GLU 319 N 0.69 0.00 0.00 1.57 5.08 -1.03 -1.38 114.58 119.52 1twh h GLU 319 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1twh h GLU 319 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1twh h GLU 319 CO 0.07 0.00 -0.73 0.22 -1.00 0.00 0.00 179.01 177.57 1twh h ASP 320 N 0.00 0.00 -0.23 1.42 3.58 -0.47 -2.60 116.42 118.11 1twh h ASP 320 Ca 0.14 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1twh h ASP 320 Cb 0.71 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.76 1twh h ASP 320 CO -0.00 0.05 0.00 0.61 -2.88 0.00 0.00 179.24 177.02 1twh n GLY 321 N 1.25 1.33 0.46 -0.78 0.00 -0.96 -4.67 105.19 101.82 1twh n GLY 321 Ca 0.02 -0.46 0.27 0.00 0.00 0.00 0.00 46.02 45.85 1twh n GLY 321 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1twh h PHE 322 N 2.81 0.00 0.00 1.61 3.57 -0.85 0.27 116.94 124.35 1twh h PHE 322 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1twh h PHE 322 Cb 0.71 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.45 1twh h PHE 322 CO 0.15 0.00 -0.01 0.28 -2.23 0.00 0.00 178.31 176.50 1twh n VAL 323 N -4.18 0.54 -3.78 1.41 0.31 -1.26 -4.51 118.33 106.87 1twh n VAL 323 Ca 0.17 -0.26 -0.37 0.00 -0.01 0.00 0.00 64.34 63.87 1twh n VAL 323 Cb 0.92 -0.57 -0.13 0.00 -0.91 0.00 0.00 33.84 33.15 1twh n VAL 323 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1twh s ILE 324 N -3.09 3.81 -0.97 2.52 1.09 0.94 -4.96 121.20 120.54 1twh s ILE 324 Ca 0.11 -0.85 0.08 0.00 -1.10 0.00 0.00 60.65 58.89 1twh s ILE 324 Cb 0.13 -3.02 0.11 0.00 -1.06 0.00 0.00 42.46 38.62 1twh s ILE 324 CO 0.59 0.02 0.87 0.00 -0.10 0.00 0.00 174.94 176.32 1twh n GLN 325 N 4.83 0.83 -4.26 2.79 1.13 -1.26 -4.99 117.38 116.45 1twh n GLN 325 Ca -0.14 -1.22 -0.15 0.00 -1.94 0.00 0.00 57.00 53.55 1twh n GLN 325 Cb 0.47 -1.17 -0.10 0.00 0.11 0.00 0.00 30.24 29.55 1twh n GLN 325 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 1twh s ASP 326 N -0.77 0.75 0.48 1.08 3.84 -1.26 -5.00 116.67 115.78 1twh s ASP 326 Ca 0.12 -1.45 0.20 0.00 -0.00 0.00 0.00 52.55 51.42 1twh s ASP 326 Cb 0.08 0.35 1.20 0.00 -1.38 0.00 0.00 42.92 43.16 1twh s ASP 326 CO 0.11 -0.84 2.03 -0.09 -0.00 0.00 0.00 175.17 176.37 1twh h ARG 327 N 2.46 0.00 0.25 2.11 2.43 -1.96 -1.06 114.38 118.60 1twh h ARG 327 Ca -0.35 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.81 1twh h ARG 327 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1twh h ARG 327 CO 0.53 0.16 -0.12 0.93 -1.51 0.00 0.00 179.97 179.96 1twh h GLU 328 N 0.00 -0.33 -1.03 0.20 4.39 -1.95 -1.96 114.58 113.90 1twh h GLU 328 Ca -0.00 0.02 0.31 0.00 0.34 0.00 0.00 59.36 60.03 1twh h GLU 328 Cb 0.33 0.07 -0.14 0.00 -0.10 0.00 0.00 28.75 28.92 1twh h GLU 328 CO 0.02 -0.22 0.61 1.15 -1.16 0.00 0.00 179.01 179.42 1twh h THR 329 N -0.36 0.36 -0.12 1.13 2.02 -1.94 0.21 112.91 114.21 1twh h THR 329 Ca -0.03 -0.13 -0.19 0.00 0.77 0.00 0.00 66.41 66.82 1twh h THR 329 Cb 0.26 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 1twh h THR 329 CO 0.06 0.07 -0.72 0.00 0.37 0.00 0.00 175.52 175.29 1twh h ALA 330 N 1.78 0.51 -0.62 6.16 0.00 -0.90 -2.13 119.26 124.06 1twh h ALA 330 Ca 0.71 -0.59 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1twh h ALA 330 Cb 1.64 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.35 1twh h ALA 330 CO -0.53 0.73 0.13 -0.07 0.00 0.00 0.00 179.25 179.51 1twh h LEU 331 N 0.39 0.93 -0.42 0.00 3.38 -0.50 -1.40 115.31 117.69 1twh h LEU 331 Ca -0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1twh h LEU 331 Cb 1.31 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1twh h LEU 331 CO 0.13 0.91 0.23 -0.78 0.09 0.00 0.00 178.44 179.03 1twh h ASP 332 N 0.93 0.52 -0.69 -0.43 -0.00 -0.17 1.21 116.42 117.80 1twh h ASP 332 Ca 0.20 -0.09 0.13 0.00 -0.00 0.00 0.00 57.03 57.27 1twh h ASP 332 Cb 0.36 -0.13 -0.13 0.00 -0.00 0.00 0.00 39.33 39.43 1twh h ASP 332 CO 0.00 0.46 -0.23 0.15 -0.00 0.00 0.00 179.24 179.63 1twh h PHE 333 N 0.55 -0.54 -0.18 0.28 3.57 -1.19 0.24 116.94 119.66 1twh h PHE 333 Ca 0.15 0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 1twh h PHE 333 Cb 0.05 0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1twh h PHE 333 CO -0.02 -0.33 -0.03 0.82 -2.23 0.00 0.00 178.31 176.52 1twh h ILE 334 N -0.04 1.28 -0.31 1.41 2.04 -0.88 -3.24 117.51 117.76 1twh h ILE 334 Ca 0.32 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1twh h ILE 334 Cb 0.54 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 1twh h ILE 334 CO -0.73 0.29 0.20 1.23 0.00 0.00 0.00 178.15 179.14 1twh h GLY 335 N 0.05 0.43 2.00 5.37 0.00 0.41 -0.23 103.07 111.10 1twh h GLY 335 Ca 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1twh h GLY 335 CO 0.01 0.16 -0.07 3.21 0.00 0.00 0.00 176.54 179.85 1twh h ARG 336 N 0.41 0.00 -0.27 4.80 3.08 -0.70 -0.92 114.38 120.77 1twh h ARG 336 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1twh h ARG 336 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1twh h ARG 336 CO -0.02 0.07 0.00 0.54 -1.07 0.00 0.00 179.97 179.48 1twh n ARG 337 N -3.54 1.64 0.00 0.04 1.74 -0.10 -3.61 116.66 112.84 1twh n ARG 337 Ca -0.02 -1.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.06 1twh n ARG 337 Cb 0.19 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 1twh n ARG 337 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1twh n GLY 338 N 0.95 0.74 3.65 -0.13 0.00 -0.46 -1.67 105.19 108.26 1twh n GLY 338 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 1twh n GLY 338 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1twh s THR 339 N -0.41 2.43 0.55 2.61 -4.23 -0.57 -4.99 115.64 111.03 1twh s THR 339 Ca 0.00 -1.93 -0.01 0.00 -1.18 0.00 0.00 61.69 58.57 1twh s THR 339 Cb 0.00 -2.86 0.02 0.00 1.34 0.00 0.00 72.50 71.00 1twh s THR 339 CO 0.00 -0.12 0.80 0.00 -0.54 0.00 0.00 174.62 174.75 1twh s ALA 340 N -2.57 3.67 0.09 3.99 0.00 -1.26 -4.92 121.76 120.76 1twh s ALA 340 Ca 0.36 -1.11 -0.30 0.00 0.00 0.00 0.00 51.96 50.91 1twh s ALA 340 Cb 0.03 -2.24 -0.06 0.00 0.00 0.00 0.00 23.12 20.85 1twh s ALA 340 CO 0.20 -0.73 1.15 -1.17 0.00 0.00 0.00 175.76 175.21 1twh s LEU 341 N -4.80 4.40 0.00 0.00 2.96 -1.26 -1.01 118.68 118.97 1twh s LEU 341 Ca 0.55 2.01 0.00 0.00 -0.22 0.00 0.00 54.13 56.46 1twh s LEU 341 Cb -0.10 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.00 1twh s LEU 341 CO 0.40 -0.39 0.00 0.61 -1.32 0.00 0.00 176.35 175.65 1twh n GLY 342 N 2.86 1.76 3.74 7.98 0.00 -1.26 -5.06 105.19 115.21 1twh n GLY 342 Ca 0.07 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 1twh n GLY 342 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1twh s ILE 343 N -0.96 2.88 0.58 -0.61 1.01 -0.18 -5.00 121.20 118.92 1twh s ILE 343 Ca 0.00 0.72 -0.17 0.00 0.00 0.00 0.00 60.65 61.20 1twh s ILE 343 Cb 0.00 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 1twh s ILE 343 CO 0.00 0.10 1.07 -0.54 0.00 0.00 0.00 174.94 175.57 1twh s LYS 344 N -0.06 3.33 0.13 2.79 1.02 -1.26 -4.80 119.74 120.89 1twh s LYS 344 Ca 0.60 1.30 -0.28 0.00 0.02 0.00 0.00 55.97 57.60 1twh s LYS 344 Cb -0.40 -2.03 -0.05 0.00 -0.52 0.00 0.00 37.83 34.83 1twh s LYS 344 CO 0.40 -0.81 1.59 -0.22 -0.92 0.00 0.00 175.35 175.39 1twh h LYS 345 N 0.64 -0.47 -0.44 1.68 3.64 -1.98 0.58 116.57 120.22 1twh h LYS 345 Ca -0.48 0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.06 1twh h LYS 345 Cb 1.23 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 33.14 1twh h LYS 345 CO 0.57 -0.31 0.33 1.49 -2.27 0.00 0.00 179.45 179.26 1twh h GLU 346 N -0.48 0.00 0.07 1.90 4.81 -1.99 -0.24 114.58 118.65 1twh h GLU 346 Ca 0.07 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.98 1twh h GLU 346 Cb 0.61 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 1twh h GLU 346 CO -0.36 0.00 -1.78 0.87 -0.73 0.00 0.00 179.01 177.01 1twh h LYS 347 N 0.00 0.14 0.13 1.92 1.57 -0.35 -2.73 116.57 117.26 1twh h LYS 347 Ca 0.21 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1twh h LYS 347 Cb 0.87 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 1twh h LYS 347 CO -0.00 0.88 -0.10 0.00 -0.57 0.00 0.00 179.45 179.66 1twh h ARG 348 N 0.04 -0.23 -0.64 3.15 3.08 0.85 -1.39 114.38 119.24 1twh h ARG 348 Ca -0.33 0.02 0.13 0.00 0.07 0.00 0.00 59.98 59.87 1twh h ARG 348 Cb 2.02 0.05 -0.12 0.00 0.08 0.00 0.00 29.97 32.00 1twh h ARG 348 CO 0.10 -0.15 -0.17 0.82 -1.07 0.00 0.00 179.97 179.50 1twh h ILE 349 N -0.23 0.34 0.00 2.04 2.04 -1.24 0.63 117.51 121.09 1twh h ILE 349 Ca -0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1twh h ILE 349 Cb 0.21 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1twh h ILE 349 CO -0.01 0.00 -0.09 -0.61 0.00 0.00 0.00 178.15 177.44 1twh h GLN 350 N -0.01 0.00 -0.66 2.37 5.75 -1.33 0.31 115.11 121.54 1twh h GLN 350 Ca 0.31 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.73 1twh h GLN 350 Cb 0.48 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.00 1twh h GLN 350 CO -0.67 0.09 0.11 -0.92 -2.65 0.00 0.00 178.83 174.79 1twh h TYR 351 N 0.00 1.14 -0.08 3.99 3.20 0.27 -2.52 116.97 122.97 1twh h TYR 351 Ca -0.00 -0.15 -0.22 0.00 3.14 0.00 0.00 58.73 61.50 1twh h TYR 351 Cb 0.76 -0.32 0.01 0.00 1.54 0.00 0.00 36.73 38.73 1twh h TYR 351 CO 0.00 0.96 -0.80 0.00 -1.64 0.00 0.00 178.16 176.68 1twh h ALA 352 N 1.09 0.21 -0.66 1.82 0.00 -0.68 -1.35 119.26 119.69 1twh h ALA 352 Ca 0.20 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1twh h ALA 352 Cb 0.43 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1twh h ALA 352 CO 0.01 0.60 0.41 0.87 0.00 0.00 0.00 179.25 181.15 1twh h LYS 353 N 0.37 0.89 -0.83 0.00 1.57 -1.03 0.21 116.57 117.75 1twh h LYS 353 Ca -0.08 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1twh h LYS 353 Cb 1.45 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 33.53 1twh h LYS 353 CO 0.16 0.61 0.55 -0.44 -0.57 0.00 0.00 179.45 179.76 1twh h ASP 354 N 0.90 0.94 -0.01 0.86 3.32 -1.07 -1.82 116.42 119.54 1twh h ASP 354 Ca 0.24 -0.02 -0.17 0.00 0.02 0.00 0.00 57.03 57.10 1twh h ASP 354 Cb -0.06 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.27 1twh h ASP 354 CO -0.05 0.68 -0.65 0.40 -1.72 0.00 0.00 179.24 177.90 1twh h ILE 355 N 1.11 1.40 0.00 0.35 1.08 -0.48 -1.43 117.51 119.55 1twh h ILE 355 Ca 0.30 -2.07 -0.06 0.00 -0.39 0.00 0.00 64.86 62.64 1twh h ILE 355 Cb -0.12 2.52 -0.01 0.00 -3.07 0.00 0.00 36.82 36.14 1twh h ILE 355 CO -0.07 0.61 -0.29 -0.07 -0.69 0.00 0.00 178.15 177.64 1twh h LEU 356 N -0.00 0.00 0.07 1.44 3.38 -0.35 -0.90 115.31 118.95 1twh h LEU 356 Ca -0.08 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.64 1twh h LEU 356 Cb 1.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 1twh h LEU 356 CO 0.13 0.29 -1.14 -0.61 0.09 0.00 0.00 178.44 177.20 1twh h GLN 357 N 0.00 0.16 0.00 1.13 4.15 -1.22 -3.35 115.11 115.98 1twh h GLN 357 Ca -0.00 -0.27 -0.00 0.00 0.77 0.00 0.00 58.65 59.14 1twh h GLN 357 Cb 0.57 0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.36 1twh h GLN 357 CO 0.04 1.13 -1.07 1.63 -1.93 0.00 0.00 178.83 178.63 1twh n LYS 358 N -3.46 0.66 0.00 1.69 5.02 -0.55 -4.33 118.16 117.20 1twh n LYS 358 Ca -0.05 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1twh n LYS 358 Cb 0.99 -1.03 0.00 0.00 -0.02 0.00 0.00 35.03 34.96 1twh n LYS 358 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1twh n GLU 359 N -1.63 -0.01 -4.28 1.97 -0.58 -0.40 -4.70 120.64 111.00 1twh n GLU 359 Ca -0.01 -0.42 -0.34 0.00 -0.42 0.00 0.00 57.16 55.97 1twh n GLU 359 Cb 0.12 -0.74 -0.12 0.00 -0.57 0.00 0.00 31.44 30.13 1twh n GLU 359 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1twh s PHE 360 N -0.12 3.06 -0.74 -0.32 5.36 -0.84 -4.66 117.98 119.73 1twh s PHE 360 Ca 0.00 -0.26 -0.21 0.00 -0.96 0.00 0.00 56.93 55.49 1twh s PHE 360 Cb 0.00 -2.00 0.03 0.00 -0.34 0.00 0.00 43.02 40.71 1twh s PHE 360 CO 0.00 -0.04 0.40 1.28 -1.46 0.00 0.00 175.22 175.41 1twh n LEU 361 N 3.65 -0.06 0.00 6.12 4.77 -1.26 -4.75 117.00 125.46 1twh n LEU 361 Ca -0.17 -0.79 0.02 0.00 -0.03 0.00 0.00 56.01 55.04 1twh n LEU 361 Cb 0.52 -0.95 0.10 0.00 -2.33 0.00 0.00 43.42 40.76 1twh n LEU 361 CO 0.33 0.50 0.55 -0.81 -1.33 0.00 0.00 177.39 176.63 1twh n PRO 362 N -3.45 0.02 0.23 3.23 -0.04 -1.26 -1.58 135.00 132.15 1twh n PRO 362 Ca -0.07 0.37 0.15 0.00 -0.04 0.00 0.00 63.50 63.91 1twh n PRO 362 Cb 0.34 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.79 1twh n PRO 362 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 1twh h HIS 363 N 0.00 0.00 0.00 0.54 2.07 -1.85 -3.34 115.15 112.57 1twh h HIS 363 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1twh h HIS 363 Cb 0.07 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.05 1twh h HIS 363 CO 0.00 0.00 0.00 -0.89 -3.07 0.00 0.00 177.93 173.97 1twh n ILE 364 N -2.91 0.00 -3.52 6.12 5.41 -0.61 -4.94 119.36 118.91 1twh n ILE 364 Ca 0.02 0.81 -0.11 0.00 1.00 0.00 0.00 62.75 64.46 1twh n ILE 364 Cb 0.37 -1.60 -0.03 0.00 -0.71 0.00 0.00 39.64 37.66 1twh n ILE 364 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1twh s THR 365 N -1.39 0.03 -0.00 1.39 2.01 -1.25 -5.01 115.64 111.41 1twh s THR 365 Ca 0.00 -0.26 0.00 0.00 0.31 0.00 0.00 61.69 61.74 1twh s THR 365 Cb 0.00 -1.07 0.00 0.00 0.01 0.00 0.00 72.50 71.44 1twh s THR 365 CO 0.00 -0.14 0.99 0.00 -0.69 0.00 0.00 174.62 174.78 1twh n GLN 366 N -0.28 2.92 -0.94 4.92 6.02 -1.26 -4.46 117.38 124.29 1twh n GLN 366 Ca -0.17 -1.48 0.00 0.00 -0.01 0.00 0.00 57.00 55.34 1twh n GLN 366 Cb 0.64 -1.00 0.00 0.00 1.02 0.00 0.00 30.24 30.90 1twh n GLN 366 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1twh n LEU 367 N -0.49 0.00 -0.08 1.08 4.77 -1.26 -4.58 117.00 116.44 1twh n LEU 367 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1twh n LEU 367 Cb 0.24 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.18 1twh n LEU 367 CO 0.00 -0.30 -0.97 -0.62 -1.33 0.00 0.00 177.39 174.17 1twh n GLU 368 N -0.60 0.67 0.00 3.23 1.02 -1.26 -4.29 120.64 119.42 1twh n GLU 368 Ca 0.00 0.08 0.08 0.00 -0.02 0.00 0.00 57.16 57.30 1twh n GLU 368 Cb 0.00 -1.60 0.46 0.00 -0.02 0.00 0.00 31.44 30.27 1twh n GLU 368 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1twh n GLY 369 N 1.70 -0.61 2.76 0.62 0.00 -1.26 -4.80 105.19 103.60 1twh n GLY 369 Ca -0.28 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 1twh n GLY 369 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1twh n PHE 370 N -0.89 3.26 -0.06 1.61 3.01 -1.26 -4.61 117.46 118.52 1twh n PHE 370 Ca 0.11 -3.02 -0.03 0.00 1.01 0.00 0.00 57.45 55.52 1twh n PHE 370 Cb 0.05 -0.87 -0.13 0.00 -0.01 0.00 0.00 39.48 38.52 1twh n PHE 370 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1twh n GLU 371 N -0.23 1.13 0.02 -1.08 4.71 -1.26 -3.65 120.64 120.28 1twh n GLU 371 Ca 0.42 -0.05 -0.10 0.00 -0.01 0.00 0.00 57.16 57.42 1twh n GLU 371 Cb 0.34 -1.42 0.03 0.00 -1.01 0.00 0.00 31.44 29.38 1twh n GLU 371 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1twh h SER 372 N 0.00 0.59 -0.90 1.62 0.87 -1.90 -2.16 113.55 111.67 1twh h SER 372 Ca -0.32 -0.35 0.12 0.00 -1.23 0.00 0.00 61.79 60.01 1twh h SER 372 Cb 1.67 -0.17 -0.08 0.00 -0.44 0.00 0.00 62.40 63.37 1twh h SER 372 CO 0.02 1.08 0.52 0.03 -0.53 0.00 0.00 176.83 177.95 1twh h ARG 373 N 0.37 0.78 -0.12 2.24 3.08 -1.93 -2.21 114.38 116.59 1twh h ARG 373 Ca -0.01 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.82 1twh h ARG 373 Cb 1.21 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 1twh h ARG 373 CO 0.12 0.52 -0.63 0.87 -1.07 0.00 0.00 179.97 179.78 1twh h LYS 374 N 0.81 0.45 0.18 0.04 1.57 -1.59 -1.86 116.57 116.17 1twh h LYS 374 Ca 0.46 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1twh h LYS 374 Cb 0.51 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1twh h LYS 374 CO -0.29 0.94 -0.09 0.00 -0.57 0.00 0.00 179.45 179.44 1twh h ALA 375 N 0.99 -0.24 -0.57 3.86 0.00 -1.17 0.57 119.26 122.70 1twh h ALA 375 Ca -0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1twh h ALA 375 Cb 1.18 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1twh h ALA 375 CO 0.11 -0.62 0.14 0.74 0.00 0.00 0.00 179.25 179.62 1twh h PHE 376 N -0.27 0.91 0.00 0.00 -1.00 -1.39 0.16 116.94 115.35 1twh h PHE 376 Ca -0.02 -0.09 -0.12 0.00 2.81 0.00 0.00 57.97 60.55 1twh h PHE 376 Cb 0.21 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 39.49 1twh h PHE 376 CO -0.06 0.76 -0.56 0.35 -1.61 0.00 0.00 178.31 177.19 1twh h PHE 377 N 0.84 0.00 -0.37 -0.55 3.57 -0.76 -0.05 116.94 119.61 1twh h PHE 377 Ca 0.18 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 1twh h PHE 377 Cb 0.31 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1twh h PHE 377 CO 0.02 0.56 -0.09 1.25 -2.23 0.00 0.00 178.31 177.81 1twh h LEU 378 N 0.00 0.62 -0.19 0.59 5.85 0.14 -1.98 115.31 120.34 1twh h LEU 378 Ca -0.01 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 1twh h LEU 378 Cb 1.19 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1twh h LEU 378 CO 0.07 0.76 -0.04 1.23 -0.34 0.00 0.00 178.44 180.12 1twh h GLY 379 N 0.95 0.40 1.73 3.75 0.00 -0.18 -1.96 103.07 107.77 1twh h GLY 379 Ca 0.11 -0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.14 1twh h GLY 379 CO 0.03 0.30 0.10 -1.82 0.00 0.00 0.00 176.54 175.15 1twh h TYR 380 N 0.09 0.00 -0.01 5.60 3.20 -0.53 0.12 116.97 125.44 1twh h TYR 380 Ca 0.05 0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.72 1twh h TYR 380 Cb 0.48 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 1twh h TYR 380 CO 0.05 0.00 -0.87 0.52 -1.64 0.00 0.00 178.16 176.22 1twh h MET 381 N 0.00 0.28 -0.05 1.82 2.86 -0.85 -2.50 114.93 116.49 1twh h MET 381 Ca 0.06 -0.29 -0.12 0.00 -2.06 0.00 0.00 59.70 57.29 1twh h MET 381 Cb 0.26 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1twh h MET 381 CO -0.00 0.99 -0.52 0.82 1.06 0.00 0.00 176.91 179.26 1twh h ILE 382 N 0.16 1.36 -0.16 -1.22 2.04 -0.41 -1.99 117.51 117.29 1twh h ILE 382 Ca -0.05 -1.79 -0.00 0.00 1.00 0.00 0.00 64.86 64.02 1twh h ILE 382 Cb 1.49 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 39.47 1twh h ILE 382 CO 0.14 0.52 0.10 -1.13 0.00 0.00 0.00 178.15 177.78 1twh h ASN 383 N 0.10 0.19 -0.25 1.72 -1.24 -0.46 -1.72 115.58 113.92 1twh h ASN 383 Ca 0.00 -0.04 0.05 0.00 0.71 0.00 0.00 56.30 57.02 1twh h ASN 383 Cb 0.95 -0.05 -0.05 0.00 0.73 0.00 0.00 38.32 39.91 1twh h ASN 383 CO 0.07 0.18 -0.06 0.03 -1.29 0.00 0.00 177.43 176.36 1twh h ARG 384 N 0.19 0.00 -0.75 6.67 2.47 -1.18 0.25 114.38 122.03 1twh h ARG 384 Ca 0.06 -0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.81 1twh h ARG 384 Cb 0.02 -0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.29 1twh h ARG 384 CO -0.01 0.00 0.48 1.25 0.56 0.00 0.00 179.97 182.25 1twh h LEU 385 N 0.00 0.79 -0.86 3.04 5.85 -1.23 -1.71 115.31 121.19 1twh h LEU 385 Ca 0.12 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1twh h LEU 385 Cb 0.18 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1twh h LEU 385 CO -0.26 0.55 -0.24 -0.07 -0.34 0.00 0.00 178.44 178.08 1twh h LEU 386 N 0.94 0.00 -1.22 2.25 3.38 -0.17 -2.42 115.31 118.07 1twh h LEU 386 Ca 0.30 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.19 1twh h LEU 386 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1twh h LEU 386 CO -0.11 0.24 -0.32 0.25 0.09 0.00 0.00 178.44 178.60 1twh h LEU 387 N 0.00 0.13 0.06 1.67 5.85 0.36 0.51 115.31 123.88 1twh h LEU 387 Ca -0.00 -0.04 -0.31 0.00 0.84 0.00 0.00 57.88 58.37 1twh h LEU 387 Cb 0.86 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 1twh h LEU 387 CO 0.03 0.44 -1.72 0.00 -0.34 0.00 0.00 178.44 176.85 1twh h ALA 389 N 0.63 1.68 -0.00 0.00 0.00 -1.03 -2.95 119.26 117.59 1twh h ALA 389 Ca -0.30 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1twh h ALA 389 Cb 2.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1twh h ALA 389 CO 0.10 0.24 -0.08 1.28 0.00 0.00 0.00 179.25 180.79 1twh n LEU 390 N -4.31 0.12 -0.41 0.00 4.77 0.13 -4.92 117.00 112.39 1twh n LEU 390 Ca -0.02 0.33 -0.03 0.00 -0.03 0.00 0.00 56.01 56.26 1twh n LEU 390 Cb 0.25 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1twh n LEU 390 CO 0.37 0.03 -0.02 0.47 -1.33 0.00 0.00 177.39 176.90 1twh n ASP 391 N -1.40 -1.79 0.02 -1.43 9.92 -1.11 -4.94 116.55 115.82 1twh n ASP 391 Ca 0.09 -0.02 0.11 0.00 -0.53 0.00 0.00 54.79 54.45 1twh n ASP 391 Cb 0.31 -1.03 -0.10 0.00 -0.64 0.00 0.00 41.12 39.66 1twh n ASP 391 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1twh n ARG 392 N -1.20 0.53 -4.05 -1.24 1.74 0.38 -4.95 116.66 107.89 1twh n ARG 392 Ca -0.02 -0.08 -0.09 0.00 -0.77 0.00 0.00 57.85 56.88 1twh n ARG 392 Cb 0.52 -1.59 -0.11 0.00 -1.02 0.00 0.00 32.46 30.26 1twh n ARG 392 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1twh s LYS 393 N -3.39 0.49 0.38 5.56 -0.14 -0.66 -4.96 119.74 117.02 1twh s LYS 393 Ca -0.03 -0.89 -0.14 0.00 -1.36 0.00 0.00 55.97 53.54 1twh s LYS 393 Cb 0.13 0.05 -0.08 0.00 -1.68 0.00 0.00 37.83 36.25 1twh s LYS 393 CO 0.86 -0.05 0.79 0.34 -0.76 0.00 0.00 175.35 176.54 1twh s ASP 394 N -2.08 6.68 0.51 2.83 -1.08 -1.26 -4.18 116.67 118.09 1twh s ASP 394 Ca -0.05 1.30 -0.20 0.00 -0.52 0.00 0.00 52.55 53.07 1twh s ASP 394 Cb -0.03 -2.38 -0.10 0.00 -1.46 0.00 0.00 42.92 38.95 1twh s ASP 394 CO -0.04 -0.33 0.63 0.00 0.52 0.00 0.00 175.17 175.95 1twh n GLN 395 N -0.86 0.67 -2.44 4.34 10.64 -1.26 -4.92 117.38 123.54 1twh n GLN 395 Ca 0.04 0.25 -0.36 0.00 -1.83 0.00 0.00 57.00 55.10 1twh n GLN 395 Cb 0.54 -1.73 -0.03 0.00 -0.86 0.00 0.00 30.24 28.16 1twh n GLN 395 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1twh s ASP 396 N -1.06 6.43 -0.61 2.61 1.01 -0.88 -4.95 116.67 119.22 1twh s ASP 396 Ca 0.67 2.10 -0.20 0.00 0.71 0.00 0.00 52.55 55.84 1twh s ASP 396 Cb -0.50 -2.58 0.10 0.00 1.01 0.00 0.00 42.92 40.94 1twh s ASP 396 CO 0.55 -0.72 0.76 -0.62 0.21 0.00 0.00 175.17 175.35 1twh s ASP 397 N -1.60 6.18 0.00 0.27 -1.08 -1.26 -4.94 116.67 114.23 1twh s ASP 397 Ca 0.62 -1.34 0.08 0.00 -0.52 0.00 0.00 52.55 51.40 1twh s ASP 397 Cb -0.23 -2.33 0.46 0.00 -1.46 0.00 0.00 42.92 39.36 1twh s ASP 397 CO 0.28 -1.19 1.01 0.54 0.52 0.00 0.00 175.17 176.34 1twh n ARG 398 N 6.64 0.20 -0.29 4.34 1.74 -1.26 -3.05 116.66 124.98 1twh n ARG 398 Ca -0.08 0.08 0.08 0.00 -0.77 0.00 0.00 57.85 57.16 1twh n ARG 398 Cb 0.43 -1.50 0.24 0.00 -1.02 0.00 0.00 32.46 30.61 1twh n ARG 398 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1twh n ASP 399 N -1.11 3.49 -4.69 0.55 8.00 -1.26 -4.80 116.55 116.72 1twh n ASP 399 Ca 0.05 -2.07 -0.42 0.00 0.71 0.00 0.00 54.79 53.07 1twh n ASP 399 Cb 0.04 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 40.75 1twh n ASP 399 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1twh s HIS 400 N -1.12 2.65 -0.88 1.24 2.46 -1.17 -4.84 115.29 113.62 1twh s HIS 400 Ca 0.36 0.51 0.20 0.00 0.47 0.00 0.00 55.06 56.60 1twh s HIS 400 Cb 0.19 -3.87 0.83 0.00 -0.13 0.00 0.00 32.58 29.60 1twh s HIS 400 CO 0.23 -3.39 1.63 0.34 -2.47 0.00 0.00 174.74 171.07 1twh n PHE 401 N 5.24 0.22 1.16 3.88 7.35 -1.26 -2.13 117.46 131.92 1twh n PHE 401 Ca 0.15 0.08 0.13 0.00 -0.76 0.00 0.00 57.45 57.05 1twh n PHE 401 Cb 0.41 -0.63 0.64 0.00 0.35 0.00 0.00 39.48 40.25 1twh n PHE 401 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1twh n GLY 402 N 0.39 -1.22 1.49 7.13 0.00 -1.26 -2.33 105.19 109.40 1twh n GLY 402 Ca 0.04 -0.12 -0.06 0.00 0.00 0.00 0.00 46.02 45.89 1twh n GLY 402 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1twh n LYS 403 N -1.34 2.56 -4.45 1.61 5.02 -0.91 -4.71 118.16 115.94 1twh n LYS 403 Ca 0.11 -3.06 -0.22 0.00 -2.02 0.00 0.00 58.31 53.11 1twh n LYS 403 Cb 0.23 -1.98 -0.10 0.00 -0.02 0.00 0.00 35.03 33.16 1twh n LYS 403 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1twh s LYS 404 N -3.12 1.61 0.01 1.97 -0.14 -0.98 -2.43 119.74 116.65 1twh s LYS 404 Ca 0.49 -1.82 0.02 0.00 -1.36 0.00 0.00 55.97 53.30 1twh s LYS 404 Cb 0.41 -1.29 -0.01 0.00 -1.68 0.00 0.00 37.83 35.27 1twh s LYS 404 CO 0.07 0.07 -0.06 1.03 -0.76 0.00 0.00 175.35 175.69 1twh s ARG 405 N -3.70 0.49 -0.14 1.68 1.81 -0.55 -4.73 118.95 113.82 1twh s ARG 405 Ca 0.30 -0.33 -0.05 0.00 -1.72 0.00 0.00 55.73 53.93 1twh s ARG 405 Cb 0.03 -0.44 -0.04 0.00 -0.45 0.00 0.00 34.95 34.06 1twh s ARG 405 CO 0.13 0.11 0.05 -0.51 -0.68 0.00 0.00 175.30 174.40 1twh s LEU 406 N -0.44 3.78 -0.21 2.53 1.43 0.34 -0.39 118.68 125.73 1twh s LEU 406 Ca -0.00 0.14 -0.06 0.00 -1.03 0.00 0.00 54.13 53.18 1twh s LEU 406 Cb -0.04 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 1twh s LEU 406 CO -0.00 0.27 0.03 -1.81 0.23 0.00 0.00 176.35 175.07 1twh s ASP 407 N -0.20 5.06 0.39 2.29 1.01 0.68 -4.29 116.67 121.61 1twh s ASP 407 Ca 0.07 -0.15 0.06 0.00 0.71 0.00 0.00 52.55 53.24 1twh s ASP 407 Cb -0.12 -1.88 0.06 0.00 1.01 0.00 0.00 42.92 41.99 1twh s ASP 407 CO 0.02 0.06 0.52 0.18 0.21 0.00 0.00 175.17 176.15 1twh n LEU 408 N 4.28 0.00 -0.30 1.23 4.77 -1.26 -1.01 117.00 124.71 1twh n LEU 408 Ca -0.17 -1.72 -0.08 0.00 -0.03 0.00 0.00 56.01 54.02 1twh n LEU 408 Cb 0.52 -0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 41.28 1twh n LEU 408 CO 0.32 -0.63 0.43 0.00 -1.33 0.00 0.00 177.39 176.18 1twh n ALA 409 N -2.52 -0.45 -0.02 -1.18 0.00 -1.26 -1.86 120.51 113.22 1twh n ALA 409 Ca -0.09 0.60 -0.02 0.00 0.00 0.00 0.00 53.44 53.93 1twh n ALA 409 Cb 0.41 -0.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.84 1twh n ALA 409 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1twh h GLY 410 N 0.00 -1.77 1.93 0.00 0.00 -1.89 -0.18 103.07 101.17 1twh h GLY 410 Ca 0.11 0.80 0.01 0.00 0.00 0.00 0.00 47.33 48.25 1twh h GLY 410 CO -0.66 -0.64 0.03 -2.55 0.00 0.00 0.00 176.54 172.71 1twh h PRO 411 N -0.06 0.00 -0.03 4.80 0.11 -1.82 -0.23 132.00 134.77 1twh h PRO 411 Ca 0.01 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.90 1twh h PRO 411 Cb 0.08 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.21 1twh h PRO 411 CO -0.07 0.00 -0.85 -0.07 -0.21 0.00 0.00 178.00 176.80 1twh h LEU 412 N 0.00 0.79 -1.04 2.35 3.38 -0.69 -2.64 115.31 117.47 1twh h LEU 412 Ca 0.01 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.26 1twh h LEU 412 Cb 0.07 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1twh h LEU 412 CO -0.00 1.41 0.00 0.18 0.09 0.00 0.00 178.44 180.12 1twh n LEU 413 N -3.99 1.32 -0.07 1.67 4.77 -0.14 -3.06 117.00 117.50 1twh n LEU 413 Ca -0.10 -0.66 -0.09 0.00 -0.03 0.00 0.00 56.01 55.13 1twh n LEU 413 Cb 0.79 -0.37 -0.08 0.00 -2.33 0.00 0.00 43.42 41.43 1twh n LEU 413 CO 0.52 0.25 -0.95 0.00 -1.33 0.00 0.00 177.39 175.89 1twh n ALA 414 N -0.00 1.69 -0.28 -1.18 0.00 -0.83 -3.31 120.51 116.60 1twh n ALA 414 Ca 0.04 -0.67 -0.01 0.00 0.00 0.00 0.00 53.44 52.80 1twh n ALA 414 Cb 0.29 0.11 0.06 0.00 0.00 0.00 0.00 19.45 19.90 1twh n ALA 414 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1twh h GLN 415 N 0.00 -0.05 0.63 0.00 4.20 -1.39 2.40 115.11 120.89 1twh h GLN 415 Ca -0.32 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.36 1twh h GLN 415 Cb 1.57 0.01 0.01 0.00 0.30 0.00 0.00 27.48 29.37 1twh h GLN 415 CO -0.03 -0.03 -0.30 -0.07 -0.67 0.00 0.00 178.83 177.73 1twh h LEU 416 N -0.05 -0.71 0.00 1.46 3.38 -1.74 -2.30 115.31 115.34 1twh h LEU 416 Ca 0.33 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1twh h LEU 416 Cb 0.59 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1twh h LEU 416 CO -0.83 -0.35 0.00 0.33 0.09 0.00 0.00 178.44 177.68 1twh n PHE 417 N -5.11 0.00 -0.10 1.13 -0.00 0.22 -1.19 117.46 112.41 1twh n PHE 417 Ca -0.10 0.00 -0.24 0.00 -0.00 0.00 0.00 57.45 57.11 1twh n PHE 417 Cb 0.33 -0.14 -0.12 0.00 -0.00 0.00 0.00 39.48 39.56 1twh n PHE 417 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 1twh n LYS 418 N -1.14 0.63 0.06 -4.13 4.81 0.79 -1.91 118.16 117.27 1twh n LYS 418 Ca 0.17 0.35 0.18 0.00 -0.87 0.00 0.00 58.31 58.14 1twh n LYS 418 Cb 0.15 -1.63 0.69 0.00 0.02 0.00 0.00 35.03 34.26 1twh n LYS 418 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1twh h THR 419 N -0.62 0.76 0.00 3.15 2.02 -0.77 0.34 112.91 117.78 1twh h THR 419 Ca -0.50 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.62 1twh h THR 419 Cb 1.64 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 1twh h THR 419 CO -0.19 0.00 -0.86 -0.07 0.37 0.00 0.00 175.52 174.77 1twh h LEU 420 N 0.00 0.00 0.00 2.58 3.38 -1.23 -3.26 115.31 116.78 1twh h LEU 420 Ca 0.20 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1twh h LEU 420 Cb 0.80 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1twh h LEU 420 CO -0.00 0.19 -0.42 0.15 0.09 0.00 0.00 178.44 178.45 1twh h PHE 421 N 0.00 0.00 0.00 1.13 3.57 0.36 -2.91 116.94 119.09 1twh h PHE 421 Ca -0.04 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.39 1twh h PHE 421 Cb 1.18 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.91 1twh h PHE 421 CO 0.00 0.06 -0.36 0.87 -2.23 0.00 0.00 178.31 176.66 1twh h LYS 422 N 0.00 0.00 0.00 1.11 1.79 -1.47 -0.81 116.57 117.18 1twh h LYS 422 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1twh h LYS 422 Cb 1.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 1twh h LYS 422 CO 0.01 0.36 0.00 1.63 -1.08 0.00 0.00 179.45 180.36 1twh n LYS 423 N -3.52 0.00 -0.10 3.15 5.02 -1.15 -3.23 118.16 118.33 1twh n LYS 423 Ca -0.00 0.25 0.09 0.00 -2.02 0.00 0.00 58.31 56.63 1twh n LYS 423 Cb 0.50 -0.84 0.17 0.00 -0.02 0.00 0.00 35.03 34.84 1twh n LYS 423 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1twh n LEU 424 N -1.25 0.08 0.14 -0.35 0.00 -1.11 0.21 117.00 114.72 1twh n LEU 424 Ca 0.00 0.42 0.02 0.00 0.00 0.00 0.00 56.01 56.45 1twh n LEU 424 Cb 0.00 -0.21 0.07 0.00 0.00 0.00 0.00 43.42 43.29 1twh n LEU 424 CO 0.00 -0.47 0.47 0.00 0.00 0.00 0.00 177.39 177.39 1twh h THR 425 N 0.00 1.00 0.19 1.96 1.03 -1.24 -3.30 112.91 112.54 1twh h THR 425 Ca 0.23 -2.25 -0.34 0.00 -0.01 0.00 0.00 66.41 64.04 1twh h THR 425 Cb 0.66 2.38 0.01 0.00 -1.07 0.00 0.00 68.15 70.13 1twh h THR 425 CO -0.18 0.54 -1.68 0.11 -0.01 0.00 0.00 175.52 174.30 1twh h LYS 426 N 0.00 0.40 0.00 0.00 1.57 0.25 -3.21 116.57 115.57 1twh h LYS 426 Ca -0.01 -0.68 0.00 0.00 -1.87 0.00 0.00 60.65 58.10 1twh h LYS 426 Cb 1.34 0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.90 1twh h LYS 426 CO 0.07 1.31 0.30 -0.25 -0.57 0.00 0.00 179.45 180.31 1twh n ASP 427 N -3.59 0.11 -0.01 0.86 8.00 -0.77 -2.67 116.55 118.48 1twh n ASP 427 Ca -0.22 0.35 -0.01 0.00 0.71 0.00 0.00 54.79 55.61 1twh n ASP 427 Cb 1.08 -0.31 -0.12 0.00 -0.02 0.00 0.00 41.12 41.74 1twh n ASP 427 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1twh n ILE 428 N -1.54 1.06 -0.88 0.53 5.41 -1.21 -4.09 119.36 118.64 1twh n ILE 428 Ca -0.00 -0.71 0.07 0.00 1.00 0.00 0.00 62.75 63.11 1twh n ILE 428 Cb 0.31 -0.56 0.40 0.00 -0.71 0.00 0.00 39.64 39.08 1twh n ILE 428 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 1twh n PHE 429 N -2.76 2.00 -0.19 1.39 7.35 -1.09 -2.37 117.46 121.79 1twh n PHE 429 Ca -0.15 -0.72 0.00 0.00 -0.76 0.00 0.00 57.45 55.82 1twh n PHE 429 Cb 0.89 -0.48 0.00 0.00 0.35 0.00 0.00 39.48 40.24 1twh n PHE 429 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1twh n ARG 430 N 0.67 1.39 -1.33 -4.13 1.74 -1.22 -3.05 116.66 110.73 1twh n ARG 430 Ca 0.28 -1.02 -0.30 0.00 -0.77 0.00 0.00 57.85 56.03 1twh n ARG 430 Cb 1.16 -0.91 0.05 0.00 -1.02 0.00 0.00 32.46 31.74 1twh n ARG 430 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1twh n TYR 431 N -0.28 2.55 0.00 -1.55 9.36 -1.00 -4.35 117.16 121.90 1twh n TYR 431 Ca 0.00 -2.50 0.00 0.00 3.32 0.00 0.00 57.90 58.72 1twh n TYR 431 Cb 0.22 -1.27 0.00 0.00 -0.63 0.00 0.00 39.34 37.66 1twh n TYR 431 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 1twh n MET 432 N -0.30 0.00 -0.08 2.98 2.81 -1.26 -4.68 117.12 116.59 1twh n MET 432 Ca 0.51 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 56.28 1twh n MET 432 Cb 0.55 0.00 -0.15 0.00 -0.71 0.00 0.00 33.22 32.92 1twh n MET 432 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1twh n GLN 433 N -0.05 0.68 -1.62 0.03 7.27 -1.17 -3.46 117.38 119.05 1twh n GLN 433 Ca 0.00 0.10 -0.30 0.00 0.07 0.00 0.00 57.00 56.87 1twh n GLN 433 Cb 0.00 -1.59 0.06 0.00 2.41 0.00 0.00 30.24 31.12 1twh n GLN 433 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1twh n ARG 434 N -2.96 3.08 -3.58 3.69 1.74 -1.26 -4.85 116.66 112.53 1twh n ARG 434 Ca -0.32 -3.67 -0.40 0.00 -0.77 0.00 0.00 57.85 52.69 1twh n ARG 434 Cb 1.10 -2.28 -0.07 0.00 -1.02 0.00 0.00 32.46 30.18 1twh n ARG 434 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1twh s THR 435 N -4.72 4.35 -1.92 0.55 2.01 -1.22 -4.87 115.64 109.82 1twh s THR 435 Ca 0.59 -2.65 0.00 0.00 0.31 0.00 0.00 61.69 59.94 1twh s THR 435 Cb 0.47 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 69.19 1twh s THR 435 CO 0.01 -0.91 0.13 0.52 -0.69 0.00 0.00 174.62 173.69 1twh n VAL 436 N 3.83 0.00 0.00 3.82 0.31 -1.26 -4.90 118.33 120.13 1twh n VAL 436 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1twh n VAL 436 Cb 0.41 -0.64 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 1twh n VAL 436 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1twh n GLU 437 N -0.62 0.00 -0.64 5.55 -0.58 -1.26 -5.28 120.64 117.80 1twh n GLU 437 Ca 0.00 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.69 1twh n GLU 437 Cb 0.00 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 30.80 1twh n GLU 437 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1twh n LEU 446 N 0.00 4.66 -0.93 -4.62 4.77 -1.26 -5.30 117.00 114.32 1twh n LEU 446 Ca 0.00 -2.46 -0.02 0.00 -0.03 0.00 0.00 56.01 53.49 1twh n LEU 446 Cb 0.00 -1.11 0.01 0.00 -2.33 0.00 0.00 43.42 39.99 1twh n LEU 446 CO 0.00 1.14 0.02 0.00 -1.33 0.00 0.00 177.39 177.23 1twh n ALA 447 N 2.02 -0.16 -2.34 -1.18 0.00 -1.26 -5.07 120.51 112.52 1twh n ALA 447 Ca 0.18 0.03 -0.30 0.00 0.00 0.00 0.00 53.44 53.35 1twh n ALA 447 Cb 0.61 -0.96 -0.16 0.00 0.00 0.00 0.00 19.45 18.95 1twh n ALA 447 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1twh s ILE 448 N -3.04 2.00 -0.77 0.00 -1.09 -1.26 -5.03 121.20 112.02 1twh s ILE 448 Ca 0.05 -1.15 -0.24 0.00 -2.23 0.00 0.00 60.65 57.08 1twh s ILE 448 Cb -0.02 -1.67 0.06 0.00 -1.58 0.00 0.00 42.46 39.24 1twh s ILE 448 CO 0.08 0.50 1.17 0.21 -1.23 0.00 0.00 174.94 175.67 1twh s ASN 449 N -0.77 6.25 -0.04 3.58 2.47 -1.26 -4.94 114.94 120.24 1twh s ASN 449 Ca 0.10 -0.93 -0.01 0.00 0.42 0.00 0.00 52.86 52.44 1twh s ASN 449 Cb -0.10 -2.49 -0.00 0.00 -1.45 0.00 0.00 41.25 37.21 1twh s ASN 449 CO -0.00 -1.58 -0.02 0.00 -3.72 0.00 0.00 177.10 171.78 1twh h ALA 450 N 9.72 0.00 0.00 1.71 0.00 -1.93 -2.97 119.26 125.78 1twh h ALA 450 Ca -0.18 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1twh h ALA 450 Cb 1.05 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1twh h ALA 450 CO 1.25 0.05 0.00 1.17 0.00 0.00 0.00 179.25 181.72 1twh n LYS 451 N -2.93 0.00 -0.47 0.00 4.81 -1.26 -2.16 118.16 116.15 1twh n LYS 451 Ca -0.01 0.00 0.39 0.00 -0.87 0.00 0.00 58.31 57.82 1twh n LYS 451 Cb 0.03 0.00 0.65 0.00 0.02 0.00 0.00 35.03 35.73 1twh n LYS 451 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1twh n THR 452 N -3.81 -0.22 -0.04 3.15 5.66 -1.12 0.81 114.28 118.72 1twh n THR 452 Ca 0.00 1.67 -0.01 0.00 -3.05 0.00 0.00 64.05 62.67 1twh n THR 452 Cb 0.00 -2.74 -0.00 0.00 -1.55 0.00 0.00 70.33 66.03 1twh n THR 452 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 1twh h ILE 453 N 0.00 0.00 -0.88 1.09 1.08 -1.66 -3.06 117.51 114.07 1twh h ILE 453 Ca 0.83 -0.76 0.20 0.00 -0.39 0.00 0.00 64.86 64.75 1twh h ILE 453 Cb 2.76 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 36.39 1twh h ILE 453 CO -0.40 0.00 0.40 0.74 -0.69 0.00 0.00 178.15 178.20 1twh h THR 454 N -0.76 0.53 0.00 -0.27 2.02 0.92 0.22 112.91 115.58 1twh h THR 454 Ca 0.00 -0.15 -0.15 0.00 0.77 0.00 0.00 66.41 66.87 1twh h THR 454 Cb 0.06 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.49 1twh h THR 454 CO 0.00 0.08 -1.28 0.77 0.37 0.00 0.00 175.52 175.46 1twh h SER 455 N 0.45 0.00 0.59 4.18 4.64 -0.98 -2.91 113.55 119.52 1twh h SER 455 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 1twh h SER 455 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1twh h SER 455 CO -0.49 0.54 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 1twh n GLY 456 N 1.36 -1.25 0.03 -0.77 0.00 0.76 0.63 105.19 105.96 1twh n GLY 456 Ca -0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 1twh n GLY 456 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1twh h LEU 457 N 0.00 0.00 -0.33 0.99 3.38 -1.47 -2.94 115.31 114.93 1twh h LEU 457 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1twh h LEU 457 Cb 0.30 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1twh h LEU 457 CO 0.00 0.35 -0.22 0.50 0.09 0.00 0.00 178.44 179.16 1twh h LYS 458 N -0.58 -0.03 -0.93 1.13 3.64 -1.44 0.25 116.57 118.61 1twh h LYS 458 Ca 0.00 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.53 1twh h LYS 458 Cb 0.11 0.01 -0.16 0.00 -0.41 0.00 0.00 32.23 31.78 1twh h LYS 458 CO 0.00 -0.02 -0.34 0.98 -2.27 0.00 0.00 179.45 177.80 1twh n TYR 459 N -3.82 0.09 0.11 1.91 9.36 0.20 -1.31 117.16 123.70 1twh n TYR 459 Ca 0.00 1.15 -0.16 0.00 3.32 0.00 0.00 57.90 62.21 1twh n TYR 459 Cb 0.10 -0.89 -0.14 0.00 -0.63 0.00 0.00 39.34 37.79 1twh n TYR 459 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1twh h ALA 460 N 1.40 0.09 0.00 2.98 0.00 -0.40 -2.20 119.26 121.13 1twh h ALA 460 Ca 0.35 -0.88 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 1twh h ALA 460 Cb 0.58 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1twh h ALA 460 CO -0.93 0.96 -0.02 -0.07 0.00 0.00 0.00 179.25 179.19 1twh h LEU 461 N 0.08 0.00 0.13 0.00 4.07 -0.48 -1.50 115.31 117.60 1twh h LEU 461 Ca -0.14 0.00 -0.29 0.00 0.08 0.00 0.00 57.88 57.53 1twh h LEU 461 Cb 1.97 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.71 1twh h LEU 461 CO 0.21 0.02 -1.41 0.00 -1.08 0.00 0.00 178.44 176.18 1twh h ALA 462 N 1.98 0.18 0.08 1.53 0.00 -0.64 -3.39 119.26 119.00 1twh h ALA 462 Ca -0.00 -1.01 -0.32 0.00 0.00 0.00 0.00 54.91 53.58 1twh h ALA 462 Cb 0.06 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1twh h ALA 462 CO 0.00 1.05 -1.75 1.79 0.00 0.00 0.00 179.25 180.35 1twh h THR 463 N 0.07 0.87 0.00 0.00 1.35 -0.95 -3.48 112.91 110.77 1twh h THR 463 Ca -0.20 -2.62 0.00 0.00 -0.55 0.00 0.00 66.41 63.05 1twh h THR 463 Cb 2.00 2.55 0.00 0.00 -1.73 0.00 0.00 68.15 70.98 1twh h THR 463 CO 0.18 0.73 0.00 0.61 -0.25 0.00 0.00 175.52 176.79 1twh n GLY 464 N 1.73 0.58 3.46 5.82 0.00 -0.61 -4.72 105.19 111.44 1twh n GLY 464 Ca -0.22 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 1twh n GLY 464 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1twh s ASN 465 N -2.60 6.23 0.33 1.61 0.02 -1.24 -1.19 114.94 118.10 1twh s ASN 465 Ca 0.00 -0.88 0.00 0.00 -1.02 0.00 0.00 52.86 50.96 1twh s ASN 465 Cb 0.00 -2.37 0.00 0.00 0.02 0.00 0.00 41.25 38.90 1twh s ASN 465 CO 0.00 -1.20 0.00 0.79 0.02 0.00 0.00 177.10 176.71 1twh n TRP 466 N 7.04 -3.90 -0.02 2.20 8.01 -1.26 -4.73 117.44 124.79 1twh n TRP 466 Ca -0.04 1.09 -0.03 0.00 -1.31 0.00 0.00 57.50 57.21 1twh n TRP 466 Cb 0.45 2.82 -0.01 0.00 -2.01 0.00 0.00 31.31 32.56 1twh n TRP 466 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1twh n GLY 467 N -1.18 -0.05 0.00 6.99 0.00 -1.26 -5.15 105.19 104.54 1twh n GLY 467 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1twh n GLY 467 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1twh n ALA 477 N -2.84 0.00 -0.12 4.61 0.00 -0.34 -5.20 120.51 116.63 1twh n ALA 477 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1twh n ALA 477 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1twh n ALA 477 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1twh n GLY 478 N 0.00 0.93 0.16 0.00 0.00 -0.69 -4.91 105.19 100.69 1twh n GLY 478 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1twh n GLY 478 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1twh h VAL 479 N 0.00 0.65 -4.29 1.61 2.07 -1.90 -3.41 116.25 110.97 1twh h VAL 479 Ca 0.00 -1.89 -0.55 0.00 0.82 0.00 0.00 66.70 65.09 1twh h VAL 479 Cb 0.00 2.30 -0.29 0.00 -1.52 0.00 0.00 31.29 31.78 1twh h VAL 479 CO 0.00 0.36 -0.83 -0.55 0.02 0.00 0.00 177.57 176.57 1twh s SER 480 N -6.39 2.12 0.21 0.57 0.15 -1.26 -2.24 113.70 106.85 1twh s SER 480 Ca 0.05 -0.36 -0.01 0.00 0.70 0.00 0.00 55.95 56.33 1twh s SER 480 Cb 0.07 -0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 64.12 1twh s SER 480 CO 0.72 0.20 0.14 -1.10 1.20 0.00 0.00 173.24 174.41 1twh s GLN 481 N -0.57 1.24 0.03 5.44 -0.21 -0.46 -4.30 119.66 120.83 1twh s GLN 481 Ca 0.07 -1.65 -0.30 0.00 0.02 0.00 0.00 55.36 53.50 1twh s GLN 481 Cb -0.07 0.28 -0.04 0.00 1.00 0.00 0.00 33.01 34.18 1twh s GLN 481 CO -0.00 -0.41 0.99 0.08 -2.12 0.00 0.00 175.29 173.83 1twh s VAL 482 N -4.11 4.72 0.12 1.09 1.01 -1.26 -0.72 120.40 121.23 1twh s VAL 482 Ca 0.39 2.02 -0.31 0.00 0.00 0.00 0.00 61.98 64.08 1twh s VAL 482 Cb 0.07 -4.29 -0.10 0.00 0.00 0.00 0.00 36.38 32.05 1twh s VAL 482 CO 0.13 0.20 1.79 -0.22 0.00 0.00 0.00 175.10 177.00 1twh s LEU 483 N 0.74 4.39 0.37 3.92 2.96 0.14 -4.90 118.68 126.31 1twh s LEU 483 Ca 0.51 2.71 -0.28 0.00 -0.22 0.00 0.00 54.13 56.85 1twh s LEU 483 Cb -0.22 -3.57 -0.11 0.00 0.50 0.00 0.00 46.19 42.79 1twh s LEU 483 CO 0.29 -0.98 1.51 0.20 -1.32 0.00 0.00 176.35 176.04 1twh s ASN 484 N 2.61 6.33 -0.08 3.68 0.01 -1.26 -4.93 114.94 121.30 1twh s ASN 484 Ca 0.79 3.06 0.22 0.00 -0.71 0.00 0.00 52.86 56.22 1twh s ASN 484 Cb -0.45 -2.67 0.44 0.00 0.41 0.00 0.00 41.25 38.98 1twh s ASN 484 CO 0.35 -0.89 1.17 0.54 -1.51 0.00 0.00 177.10 176.76 1twh n ARG 485 N 0.62 0.63 0.08 -0.60 3.00 -1.26 -3.86 116.66 115.26 1twh n ARG 485 Ca 0.02 -2.50 -0.12 0.00 -0.01 0.00 0.00 57.85 55.23 1twh n ARG 485 Cb 0.39 -0.58 -0.07 0.00 0.00 0.00 0.00 32.46 32.20 1twh n ARG 485 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.63 179.51 1twh h TYR 486 N 1.22 -0.12 -3.99 -1.55 0.99 -1.91 -3.43 116.97 108.17 1twh h TYR 486 Ca -0.15 -0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.47 1twh h TYR 486 Cb 1.64 0.05 -0.14 0.00 1.00 0.00 0.00 36.73 39.27 1twh h TYR 486 CO 0.35 -0.08 -0.46 0.99 -0.00 0.00 0.00 178.16 178.97 1twh s THR 487 N -6.17 0.14 0.18 -2.88 2.01 -1.26 -4.49 115.64 103.17 1twh s THR 487 Ca -0.14 -1.44 -0.13 0.00 0.31 0.00 0.00 61.69 60.30 1twh s THR 487 Cb 0.06 -1.56 0.09 0.00 0.01 0.00 0.00 72.50 71.10 1twh s THR 487 CO 0.66 -0.63 1.82 0.22 -0.69 0.00 0.00 174.62 175.99 1twh h TYR 488 N 2.81 0.61 0.00 4.92 3.20 -1.77 -1.71 116.97 125.03 1twh h TYR 488 Ca -0.34 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.53 1twh h TYR 488 Cb 1.19 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 39.26 1twh h TYR 488 CO 0.44 0.34 -0.09 0.66 -1.64 0.00 0.00 178.16 177.87 1twh h SER 489 N 0.65 0.00 0.31 -2.11 4.64 -1.90 0.13 113.55 115.26 1twh h SER 489 Ca 0.23 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.49 1twh h SER 489 Cb 0.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1twh h SER 489 CO -0.11 0.09 -0.29 0.77 -0.87 0.00 0.00 176.83 176.42 1twh h SER 490 N 0.00 0.00 -0.38 4.97 4.64 -1.62 -1.82 113.55 119.33 1twh h SER 490 Ca -0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1twh h SER 490 Cb 0.85 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.93 1twh h SER 490 CO 0.01 0.29 -0.13 0.74 -0.87 0.00 0.00 176.83 176.88 1twh h THR 491 N 0.00 1.28 -0.48 2.95 2.02 -0.60 -2.86 112.91 115.21 1twh h THR 491 Ca -0.00 -1.23 -0.11 0.00 0.77 0.00 0.00 66.41 65.84 1twh h THR 491 Cb 0.53 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 1twh h THR 491 CO 0.04 0.41 -0.14 -0.07 0.37 0.00 0.00 175.52 176.12 1twh h LEU 492 N 0.56 0.92 -1.47 2.58 3.38 -1.03 -2.50 115.31 117.75 1twh h LEU 492 Ca 0.09 -0.31 0.08 0.00 0.09 0.00 0.00 57.88 57.84 1twh h LEU 492 Cb 0.65 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1twh h LEU 492 CO 0.04 1.06 0.45 -1.28 0.09 0.00 0.00 178.44 178.81 1twh h SER 493 N 0.81 0.55 0.01 -0.43 0.87 -1.28 -2.79 113.55 111.30 1twh h SER 493 Ca 0.12 0.01 -0.21 0.00 -1.23 0.00 0.00 61.79 60.48 1twh h SER 493 Cb 0.68 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1twh h SER 493 CO 0.05 0.34 -0.76 -0.74 -0.53 0.00 0.00 176.83 175.20 1twh h HIS 494 N 0.62 0.86 0.00 2.24 6.17 -1.23 0.94 115.15 124.75 1twh h HIS 494 Ca 0.31 -0.38 0.00 0.00 0.71 0.00 0.00 60.37 61.01 1twh h HIS 494 Cb 0.39 -0.13 0.00 0.00 2.52 0.00 0.00 27.41 30.19 1twh h HIS 494 CO -0.00 1.18 0.00 1.28 0.71 0.00 0.00 177.93 181.10 1twh n LEU 495 N -3.90 0.00 -0.42 0.26 4.77 -0.98 -2.45 117.00 114.28 1twh n LEU 495 Ca -0.06 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 55.96 1twh n LEU 495 Cb 0.73 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.89 1twh n LEU 495 CO 0.51 0.00 0.36 0.54 -1.33 0.00 0.00 177.39 177.47 1twh n ARG 496 N -0.94 0.59 -2.06 3.23 1.74 0.27 -4.85 116.66 114.63 1twh n ARG 496 Ca 0.14 -1.83 -0.30 0.00 -0.77 0.00 0.00 57.85 55.09 1twh n ARG 496 Cb 0.06 -0.91 0.01 0.00 -1.02 0.00 0.00 32.46 30.60 1twh n ARG 496 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1twh s ARG 497 N -1.30 3.50 0.14 5.56 3.52 -0.84 -2.59 118.95 126.93 1twh s ARG 497 Ca 0.17 0.57 0.01 0.00 -0.13 0.00 0.00 55.73 56.36 1twh s ARG 497 Cb 0.16 -2.15 -0.04 0.00 -1.56 0.00 0.00 34.95 31.36 1twh s ARG 497 CO -0.01 -0.53 -0.00 0.99 -0.81 0.00 0.00 175.30 174.93 1twh s THR 498 N -3.09 0.52 -0.05 4.11 2.01 0.44 -3.31 115.64 116.28 1twh s THR 498 Ca 0.54 -1.94 -0.10 0.00 0.31 0.00 0.00 61.69 60.49 1twh s THR 498 Cb -0.11 -1.96 0.02 0.00 0.01 0.00 0.00 72.50 70.46 1twh s THR 498 CO 0.51 -0.61 0.24 0.21 -0.69 0.00 0.00 174.62 174.29 1twh s ASN 499 N -3.10 -0.17 -0.22 3.53 2.47 0.02 -1.55 114.94 115.93 1twh s ASN 499 Ca 0.20 0.21 0.02 0.00 0.42 0.00 0.00 52.86 53.71 1twh s ASN 499 Cb 0.06 0.39 0.04 0.00 -1.45 0.00 0.00 41.25 40.29 1twh s ASN 499 CO 0.00 -0.27 -0.14 -0.89 -3.72 0.00 0.00 177.10 172.09 1twh s THR 500 N -0.68 2.03 0.11 -5.21 2.01 -0.19 -2.41 115.64 111.30 1twh s THR 500 Ca -0.08 -1.28 -0.31 0.00 0.31 0.00 0.00 61.69 60.34 1twh s THR 500 Cb -0.04 -2.02 -0.08 0.00 0.01 0.00 0.00 72.50 70.36 1twh s THR 500 CO 0.02 0.20 1.42 -2.84 -0.69 0.00 0.00 174.62 172.73 1twh s PRO 501 N 1.22 4.30 0.00 4.92 0.02 -1.26 -4.88 135.00 139.33 1twh s PRO 501 Ca -0.03 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.10 1twh s PRO 501 Cb -0.17 -3.26 0.00 0.00 0.02 0.00 0.00 34.50 31.09 1twh s PRO 501 CO -0.08 -0.47 0.00 -0.89 -0.33 0.00 0.00 177.00 175.23 1twh n ILE 502 N 4.00 0.00 0.32 2.83 2.08 -1.26 -5.08 119.36 122.25 1twh n ILE 502 Ca 0.12 0.00 0.12 0.00 0.56 0.00 0.00 62.75 63.55 1twh n ILE 502 Cb 0.42 0.00 0.22 0.00 -0.75 0.00 0.00 39.64 39.53 1twh n ILE 502 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1twh h ALA 509 N 0.00 0.97 -1.00 -1.39 0.00 -2.01 -3.50 119.26 112.33 1twh h ALA 509 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.55 1twh h ALA 509 Cb 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 17.42 1twh h ALA 509 CO 0.00 0.00 -1.11 1.63 0.00 0.00 0.00 179.25 179.77 1twh n LYS 510 N -2.86 1.13 0.32 0.00 5.02 -1.26 -4.92 118.16 115.59 1twh n LYS 510 Ca 0.04 -3.12 0.20 0.00 -2.02 0.00 0.00 58.31 53.42 1twh n LYS 510 Cb 0.51 -1.17 1.04 0.00 -0.02 0.00 0.00 35.03 35.38 1twh n LYS 510 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1twh h PRO 511 N 2.91 0.00 0.00 1.97 0.13 -1.97 -2.70 132.00 132.34 1twh h PRO 511 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1twh h PRO 511 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1twh h PRO 511 CO 0.44 0.01 -0.31 0.00 -0.23 0.00 0.00 178.00 177.91 1twh h ARG 512 N 0.00 0.00 -7.31 0.86 3.08 -1.87 -3.43 114.38 105.71 1twh h ARG 512 Ca -0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 1twh h ARG 512 Cb 0.15 0.00 0.08 0.00 0.08 0.00 0.00 29.97 30.28 1twh h ARG 512 CO 0.00 0.00 0.38 -0.65 -1.07 0.00 0.00 179.97 178.63 1twh s GLN 513 N -3.23 3.17 -0.20 0.04 1.11 -1.02 -4.39 119.66 115.13 1twh s GLN 513 Ca 0.06 0.95 -0.23 0.00 0.01 0.00 0.00 55.36 56.15 1twh s GLN 513 Cb 0.08 -2.02 -0.02 0.00 -1.01 0.00 0.00 33.01 30.04 1twh s GLN 513 CO 0.70 -0.92 0.72 -1.17 0.01 0.00 0.00 175.29 174.62 1twh s LEU 514 N -5.25 4.13 -0.07 2.90 2.96 -1.26 -5.04 118.68 117.06 1twh s LEU 514 Ca 0.58 0.94 -0.02 0.00 -0.22 0.00 0.00 54.13 55.41 1twh s LEU 514 Cb -0.13 -3.03 -0.04 0.00 0.50 0.00 0.00 46.19 43.49 1twh s LEU 514 CO 0.51 -0.36 0.05 -2.28 -1.32 0.00 0.00 176.35 172.95 1twh s HIS 515 N 2.19 3.26 0.59 5.38 5.65 -1.26 -4.99 115.29 126.11 1twh s HIS 515 Ca 0.32 0.25 0.29 0.00 0.25 0.00 0.00 55.06 56.17 1twh s HIS 515 Cb -0.16 -1.79 1.49 0.00 -1.18 0.00 0.00 32.58 30.94 1twh s HIS 515 CO 0.10 0.54 1.91 -0.91 -0.65 0.00 0.00 174.74 175.73 1twh h ASN 516 N 4.80 0.00 0.07 9.88 -0.26 -1.96 0.94 115.58 129.05 1twh h ASN 516 Ca -0.51 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.23 1twh h ASN 516 Cb 1.20 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.46 1twh h ASN 516 CO 0.57 0.00 0.00 0.35 -1.06 0.00 0.00 177.43 177.29 1twh n THR 517 N -3.74 0.05 1.16 2.81 -2.24 -1.26 -2.16 114.28 108.90 1twh n THR 517 Ca 0.08 0.01 0.12 0.00 -2.27 0.00 0.00 64.05 62.00 1twh n THR 517 Cb 0.65 -0.65 0.22 0.00 -2.10 0.00 0.00 70.33 68.45 1twh n THR 517 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1twh n HIS 518 N -1.05 0.00 -1.65 4.78 8.25 0.33 -4.70 115.22 121.18 1twh n HIS 518 Ca 0.16 0.00 -0.61 0.00 -0.26 0.00 0.00 57.72 57.01 1twh n HIS 518 Cb 0.09 -0.03 -0.09 0.00 1.12 0.00 0.00 29.99 31.08 1twh n HIS 518 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85 1twh n TRP 519 N 0.14 1.81 0.00 4.41 -0.00 -0.92 -1.99 117.44 120.89 1twh n TRP 519 Ca 0.13 0.75 0.00 0.00 -0.00 0.00 0.00 57.50 58.38 1twh n TRP 519 Cb 0.44 -2.37 0.00 0.00 -0.00 0.00 0.00 31.31 29.38 1twh n TRP 519 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1twh n GLY 520 N 4.76 2.79 0.69 5.87 0.00 -1.26 -4.79 105.19 113.24 1twh n GLY 520 Ca 0.33 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.26 1twh n GLY 520 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1twh n LEU 521 N 0.00 0.78 -4.37 0.99 4.77 -0.84 -4.57 117.00 113.75 1twh n LEU 521 Ca 0.00 0.09 -0.29 0.00 -0.03 0.00 0.00 56.01 55.77 1twh n LEU 521 Cb 0.00 -0.24 -0.13 0.00 -2.33 0.00 0.00 43.42 40.71 1twh n LEU 521 CO 0.00 0.21 -0.57 -0.69 -1.33 0.00 0.00 177.39 175.01 1twh s VAL 522 N -2.15 2.21 0.22 4.08 1.01 -1.04 -0.91 120.40 123.83 1twh s VAL 522 Ca -0.11 -1.65 -0.30 0.00 0.00 0.00 0.00 61.98 59.92 1twh s VAL 522 Cb 0.04 -1.94 -0.08 0.00 0.00 0.00 0.00 36.38 34.40 1twh s VAL 522 CO 0.15 0.17 0.99 0.00 0.00 0.00 0.00 175.10 176.40 1twh n PRO 524 N 1.74 0.76 -0.10 0.00 -0.04 -1.26 -3.99 135.00 132.11 1twh n PRO 524 Ca -0.01 -0.45 -0.23 0.00 -0.04 0.00 0.00 63.50 62.77 1twh n PRO 524 Cb 0.47 -1.49 -0.12 0.00 -0.04 0.00 0.00 33.50 32.32 1twh n PRO 524 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1twh n ALA 525 N -0.73 1.13 -2.73 0.55 0.00 -1.26 -4.92 120.51 112.55 1twh n ALA 525 Ca 0.11 -0.90 -0.43 0.00 0.00 0.00 0.00 53.44 52.23 1twh n ALA 525 Cb 0.35 -0.22 -0.04 0.00 0.00 0.00 0.00 19.45 19.54 1twh n ALA 525 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1twh s GLU 526 N -2.49 3.24 -0.04 0.00 2.12 -1.26 -4.00 118.70 116.26 1twh s GLU 526 Ca -0.33 -0.52 -0.10 0.00 0.36 0.00 0.00 54.97 54.38 1twh s GLU 526 Cb 0.10 -4.11 0.02 0.00 0.26 0.00 0.00 34.13 30.40 1twh s GLU 526 CO 0.59 -1.55 0.24 -0.08 -0.54 0.00 0.00 175.26 173.93 1twh s THR 527 N 3.81 0.04 1.01 -1.70 -1.32 -1.26 -4.04 115.64 112.18 1twh s THR 527 Ca 0.26 -0.34 -0.12 0.00 -1.21 0.00 0.00 61.69 60.27 1twh s THR 527 Cb -0.15 -0.47 0.20 0.00 -1.51 0.00 0.00 72.50 70.57 1twh s THR 527 CO 0.15 -0.19 1.09 -2.16 -2.21 0.00 0.00 174.62 171.31 1twh s PRO 528 N -0.75 0.32 0.41 7.08 0.04 -1.26 -4.88 135.00 135.96 1twh s PRO 528 Ca -0.08 0.48 0.03 0.00 0.04 0.00 0.00 61.00 61.46 1twh s PRO 528 Cb -0.05 -1.73 -0.00 0.00 0.04 0.00 0.00 34.50 32.77 1twh s PRO 528 CO 0.02 -2.80 0.60 -1.21 0.04 0.00 0.00 177.00 173.65 1twh s GLU 529 N -4.97 3.03 7.04 4.56 2.02 -1.26 -3.81 118.70 125.31 1twh s GLU 529 Ca 0.66 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.91 1twh s GLU 529 Cb -0.19 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.39 1twh s GLU 529 CO 0.58 -0.19 0.00 0.41 0.02 0.00 0.00 175.26 176.08 1twh n GLY 530 N -1.93 1.88 0.15 -1.39 0.00 -1.26 -3.84 105.19 98.79 1twh n GLY 530 Ca 0.02 -0.42 0.12 0.00 0.00 0.00 0.00 46.02 45.74 1twh n GLY 530 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1twh h GLN 531 N 0.00 0.00 -0.38 1.61 -0.00 -2.04 -3.01 115.11 111.29 1twh h GLN 531 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1twh h GLN 531 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 1twh h GLN 531 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.83 178.83 1twh n ALA 532 N -2.01 2.40 -1.47 0.06 0.00 -1.25 -4.85 120.51 113.39 1twh n ALA 532 Ca 0.03 -1.00 -0.51 0.00 0.00 0.00 0.00 53.44 51.96 1twh n ALA 532 Cb 0.50 -0.81 -0.07 0.00 0.00 0.00 0.00 19.45 19.07 1twh n ALA 532 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1twh n GLY 534 N 6.30 3.35 0.10 0.00 0.00 -1.26 -4.79 105.19 108.89 1twh n GLY 534 Ca 0.39 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.31 1twh n GLY 534 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1twh n LEU 535 N 0.00 0.31 -4.70 0.99 4.77 0.76 -4.55 117.00 114.58 1twh n LEU 535 Ca 0.00 -0.01 -0.41 0.00 -0.03 0.00 0.00 56.01 55.55 1twh n LEU 535 Cb 0.00 0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 1twh n LEU 535 CO 0.00 0.54 0.63 -0.69 -1.33 0.00 0.00 177.39 176.54 1twh s VAL 536 N -2.48 4.89 0.32 4.08 1.01 -0.73 -1.02 120.40 126.46 1twh s VAL 536 Ca -0.12 1.83 0.03 0.00 0.00 0.00 0.00 61.98 63.72 1twh s VAL 536 Cb 0.06 -4.22 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 1twh s VAL 536 CO 0.79 0.11 0.08 -0.54 0.00 0.00 0.00 175.10 175.53 1twh s LYS 537 N 1.49 1.63 -0.07 2.72 1.02 -0.59 -4.52 119.74 121.42 1twh s LYS 537 Ca 0.45 -1.91 0.02 0.00 0.02 0.00 0.00 55.97 54.55 1twh s LYS 537 Cb -0.19 -0.70 0.02 0.00 -0.52 0.00 0.00 37.83 36.44 1twh s LYS 537 CO 0.20 -0.25 -0.11 -0.80 -0.92 0.00 0.00 175.35 173.47 1twh s ASN 538 N -3.46 1.68 0.09 2.83 0.01 -1.26 -0.42 114.94 114.42 1twh s ASN 538 Ca 0.35 -0.27 -0.35 0.00 -0.71 0.00 0.00 52.86 51.88 1twh s ASN 538 Cb 0.08 -0.77 -0.15 0.00 0.41 0.00 0.00 41.25 40.82 1twh s ASN 538 CO 0.15 0.01 1.54 0.18 -1.51 0.00 0.00 177.10 177.47 1twh n LEU 539 N 3.92 2.66 -4.59 0.60 4.77 -1.07 -1.79 117.00 121.50 1twh n LEU 539 Ca -0.23 1.08 -0.30 0.00 -0.03 0.00 0.00 56.01 56.53 1twh n LEU 539 Cb 0.51 -1.34 0.19 0.00 -2.33 0.00 0.00 43.42 40.46 1twh n LEU 539 CO 0.25 -0.50 0.56 -1.20 -1.33 0.00 0.00 177.39 175.17 1twh n SER 540 N 3.55 -0.44 0.26 -1.43 7.64 -0.09 -4.33 113.62 118.79 1twh n SER 540 Ca 0.18 0.24 0.12 0.00 1.01 0.00 0.00 58.87 60.42 1twh n SER 540 Cb 0.25 -1.39 0.70 0.00 -1.01 0.00 0.00 64.21 62.76 1twh n SER 540 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1twh h LEU 541 N -2.12 0.00 -3.00 -3.43 3.38 -1.44 -1.99 115.31 106.71 1twh h LEU 541 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1twh h LEU 541 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1twh h LEU 541 CO 0.43 0.12 0.00 0.23 0.09 0.00 0.00 178.44 179.31 1twh n MET 542 N -3.74 2.64 -1.41 1.13 2.81 -1.26 -5.00 117.12 112.30 1twh n MET 542 Ca -0.02 -1.97 -0.31 0.00 -1.81 0.00 0.00 57.70 53.59 1twh n MET 542 Cb 0.23 -1.25 0.08 0.00 -0.71 0.00 0.00 33.22 31.58 1twh n MET 542 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1twh s SER 543 N -1.44 4.64 0.21 7.83 0.01 -0.75 -4.51 113.70 119.69 1twh s SER 543 Ca 0.16 1.61 -0.04 0.00 1.31 0.00 0.00 55.95 58.99 1twh s SER 543 Cb 0.12 -2.37 -0.03 0.00 0.21 0.00 0.00 66.02 63.94 1twh s SER 543 CO 0.05 -1.92 0.21 0.00 0.41 0.00 0.00 173.24 171.99 1twh s ILE 545 N -4.12 0.60 0.64 0.00 1.01 -1.26 -1.65 121.20 116.42 1twh s ILE 545 Ca 0.34 -0.91 -0.16 0.00 0.00 0.00 0.00 60.65 59.92 1twh s ILE 545 Cb 0.05 -0.62 -0.01 0.00 0.01 0.00 0.00 42.46 41.89 1twh s ILE 545 CO 0.11 -0.23 1.13 -0.94 0.00 0.00 0.00 174.94 175.00 1twh s SER 546 N -1.25 5.15 0.00 3.58 1.04 -0.12 -4.87 113.70 117.23 1twh s SER 546 Ca -0.06 2.10 0.20 0.00 0.48 0.00 0.00 55.95 58.67 1twh s SER 546 Cb -0.08 -2.56 0.09 0.00 0.10 0.00 0.00 66.02 63.57 1twh s SER 546 CO 0.00 -1.61 1.08 0.55 0.98 0.00 0.00 173.24 174.24 1twh n VAL 547 N -2.16 0.00 -0.61 5.02 3.14 -1.26 -2.74 118.33 119.72 1twh n VAL 547 Ca 0.11 -0.42 0.01 0.00 -2.96 0.00 0.00 64.34 61.09 1twh n VAL 547 Cb 0.51 1.34 -0.01 0.00 -1.06 0.00 0.00 33.84 34.63 1twh n VAL 547 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1twh n GLY 548 N 1.21 -3.22 3.49 7.55 0.00 -1.26 -4.61 105.19 108.35 1twh n GLY 548 Ca 0.10 -1.16 -0.10 0.00 0.00 0.00 0.00 46.02 44.86 1twh n GLY 548 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1twh s THR 549 N -4.34 0.03 -0.15 2.61 -1.32 -0.01 -4.90 115.64 107.56 1twh s THR 549 Ca 0.00 -0.64 -0.08 0.00 -1.21 0.00 0.00 61.69 59.76 1twh s THR 549 Cb 0.00 -1.45 -0.04 0.00 -1.51 0.00 0.00 72.50 69.50 1twh s THR 549 CO 0.00 -0.12 0.13 -0.62 -2.21 0.00 0.00 174.62 171.80 1twh s ASP 550 N -2.85 6.27 0.00 8.08 2.15 -1.26 -4.63 116.67 124.43 1twh s ASP 550 Ca 0.07 0.37 0.29 0.00 0.43 0.00 0.00 52.55 53.70 1twh s ASP 550 Cb -0.01 -2.06 1.18 0.00 -0.30 0.00 0.00 42.92 41.74 1twh s ASP 550 CO -0.05 0.32 1.83 -0.81 -0.17 0.00 0.00 175.17 176.29 1twh n PRO 551 N 2.57 0.89 -0.16 4.34 -0.04 -1.26 -4.36 135.00 136.97 1twh n PRO 551 Ca -0.18 -0.37 -0.10 0.00 -0.04 0.00 0.00 63.50 62.81 1twh n PRO 551 Cb 0.54 -1.49 0.02 0.00 -0.04 0.00 0.00 33.50 32.53 1twh n PRO 551 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1twh h MET 552 N 0.89 0.99 -0.12 0.54 2.86 -1.99 0.36 114.93 118.46 1twh h MET 552 Ca 0.00 -0.39 -0.06 0.00 -2.06 0.00 0.00 59.70 57.18 1twh h MET 552 Cb 0.37 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 1twh h MET 552 CO 0.00 1.07 -0.22 -1.00 1.06 0.00 0.00 176.91 177.82 1twh h PRO 553 N 0.86 0.21 -0.31 -0.22 0.13 -2.01 -1.23 132.00 129.44 1twh h PRO 553 Ca 0.12 -0.06 -0.10 0.00 -0.87 0.00 0.00 66.00 65.10 1twh h PRO 553 Cb 0.73 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 1twh h PRO 553 CO 0.06 0.42 -0.22 0.82 -0.23 0.00 0.00 178.00 178.86 1twh h ILE 554 N 0.19 1.26 -0.21 -3.56 2.04 -1.22 -1.35 117.51 114.66 1twh h ILE 554 Ca 0.03 -1.24 -0.19 0.00 1.00 0.00 0.00 64.86 64.46 1twh h ILE 554 Cb 0.50 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1twh h ILE 554 CO 0.03 0.40 -0.63 0.40 0.00 0.00 0.00 178.15 178.36 1twh h ILE 555 N 0.51 1.30 -0.74 -0.67 1.08 -1.12 0.51 117.51 118.38 1twh h ILE 555 Ca 0.08 -1.85 -0.06 0.00 -0.39 0.00 0.00 64.86 62.64 1twh h ILE 555 Cb 0.65 1.80 -0.03 0.00 -3.07 0.00 0.00 36.82 36.17 1twh h ILE 555 CO 0.05 0.59 0.24 0.74 -0.69 0.00 0.00 178.15 179.08 1twh h THR 556 N 0.54 1.26 -0.47 -0.27 2.02 -0.95 -2.60 112.91 112.45 1twh h THR 556 Ca -0.01 -0.89 -0.11 0.00 0.77 0.00 0.00 66.41 66.17 1twh h THR 556 Cb 1.22 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1twh h THR 556 CO 0.13 0.35 -0.15 0.15 0.37 0.00 0.00 175.52 176.37 1twh h PHE 557 N 1.10 1.05 -0.27 3.16 3.57 -0.63 -1.08 116.94 123.84 1twh h PHE 557 Ca 0.24 -0.24 0.08 0.00 3.53 0.00 0.00 57.97 61.58 1twh h PHE 557 Cb 0.29 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1twh h PHE 557 CO 0.02 1.03 0.20 -0.07 -2.23 0.00 0.00 178.31 177.26 1twh h LEU 558 N 0.77 0.00 0.00 0.59 3.38 -0.51 0.33 115.31 119.87 1twh h LEU 558 Ca 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1twh h LEU 558 Cb 0.71 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1twh h LEU 558 CO 0.05 0.00 -1.67 -1.54 0.09 0.00 0.00 178.44 175.37 1twh n SER 559 N -4.37 0.30 0.27 -0.43 3.41 -0.90 -1.26 113.62 110.64 1twh n SER 559 Ca 0.03 0.12 0.17 0.00 -0.26 0.00 0.00 58.87 58.93 1twh n SER 559 Cb 0.36 1.41 0.92 0.00 -0.26 0.00 0.00 64.21 66.64 1twh n SER 559 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1twh h GLU 560 N 0.00 0.00 -0.49 4.33 5.08 0.92 -2.06 114.58 122.36 1twh h GLU 560 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1twh h GLU 560 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1twh h GLU 560 CO 0.00 0.00 0.00 0.91 -1.00 0.00 0.00 179.01 178.92 1twh n TRP 561 N -3.69 1.54 0.00 4.33 7.02 -0.83 -4.88 117.44 120.93 1twh n TRP 561 Ca -0.01 -0.74 0.00 0.00 -1.02 0.00 0.00 57.50 55.73 1twh n TRP 561 Cb 0.19 -0.37 0.00 0.00 -2.42 0.00 0.00 31.31 28.70 1twh n TRP 561 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1twh n GLY 562 N 0.39 0.95 3.74 6.99 0.00 -0.78 -4.98 105.19 111.51 1twh n GLY 562 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 1twh n GLY 562 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1twh s MET 563 N -0.12 4.64 -0.01 1.61 0.00 -0.39 -4.78 119.30 120.25 1twh s MET 563 Ca 0.00 1.71 0.01 0.00 0.00 0.00 0.00 55.69 57.41 1twh s MET 563 Cb 0.00 -3.26 -0.03 0.00 0.00 0.00 0.00 34.83 31.54 1twh s MET 563 CO 0.00 0.17 -0.02 -1.21 0.00 0.00 0.00 175.02 173.96 1twh s GLU 564 N -0.74 2.75 0.34 4.11 2.02 -0.82 -4.77 118.70 121.59 1twh s GLU 564 Ca 0.47 -0.61 -0.10 0.00 0.02 0.00 0.00 54.97 54.74 1twh s GLU 564 Cb -0.29 -2.64 -0.07 0.00 0.10 0.00 0.00 34.13 31.23 1twh s GLU 564 CO 0.36 0.63 0.69 -1.25 0.02 0.00 0.00 175.26 175.71 1twh s PRO 565 N -1.41 3.81 0.11 0.39 0.04 -1.26 -1.69 135.00 134.99 1twh s PRO 565 Ca 0.18 0.41 -0.22 0.00 0.04 0.00 0.00 61.00 61.41 1twh s PRO 565 Cb -0.11 -2.48 -0.07 0.00 0.04 0.00 0.00 34.50 31.88 1twh s PRO 565 CO 0.08 0.10 1.71 1.25 0.04 0.00 0.00 177.00 180.19 1twh h LEU 566 N 1.76 -0.18 -1.00 -3.56 5.85 -1.91 -0.79 115.31 115.48 1twh h LEU 566 Ca -0.47 0.04 0.35 0.00 0.84 0.00 0.00 57.88 58.64 1twh h LEU 566 Cb 1.18 0.10 -0.16 0.00 0.37 0.00 0.00 40.66 42.15 1twh h LEU 566 CO 0.65 -0.08 0.54 1.05 -0.34 0.00 0.00 178.44 180.27 1twh h GLU 567 N -0.05 0.20 0.00 1.25 9.09 -1.92 0.74 114.58 123.88 1twh h GLU 567 Ca 0.06 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.46 1twh h GLU 567 Cb 0.14 -0.05 0.00 0.00 -1.65 0.00 0.00 28.75 27.20 1twh h GLU 567 CO -0.14 0.13 0.00 -0.25 0.05 0.00 0.00 179.01 178.81 1twh n ASP 568 N -5.13 0.50 -4.75 3.06 8.00 -0.31 -4.86 116.55 113.06 1twh n ASP 568 Ca 0.34 0.62 -0.41 0.00 0.71 0.00 0.00 54.79 56.05 1twh n ASP 568 Cb 1.08 -0.73 -0.03 0.00 -0.02 0.00 0.00 41.12 41.42 1twh n ASP 568 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1twh s TYR 569 N -3.23 3.38 -0.21 1.24 5.04 0.26 -4.98 117.35 118.84 1twh s TYR 569 Ca 0.05 1.45 -0.02 0.00 -2.44 0.00 0.00 57.07 56.10 1twh s TYR 569 Cb 0.09 -3.46 0.07 0.00 0.35 0.00 0.00 41.96 39.01 1twh s TYR 569 CO 0.37 -1.26 0.04 0.08 -1.34 0.00 0.00 175.55 173.43 1twh s VAL 570 N -0.40 0.60 0.09 3.14 1.01 -1.26 -5.01 120.40 118.57 1twh s VAL 570 Ca 0.51 -0.69 -0.18 0.00 0.00 0.00 0.00 61.98 61.62 1twh s VAL 570 Cb -0.34 -1.14 -0.08 0.00 0.00 0.00 0.00 36.38 34.82 1twh s VAL 570 CO 0.40 -0.27 1.51 -0.65 0.00 0.00 0.00 175.10 176.09 1twh h PRO 571 N 8.22 0.48 -0.02 2.72 0.11 -1.87 0.13 132.00 141.76 1twh h PRO 571 Ca -0.16 -0.16 0.01 0.00 0.11 0.00 0.00 66.00 65.79 1twh h PRO 571 Cb 1.10 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1twh h PRO 571 CO 0.36 0.66 0.06 1.12 -0.21 0.00 0.00 178.00 179.99 1twh h HIS 572 N 0.24 0.00 0.00 0.65 2.07 -1.92 0.68 115.15 116.87 1twh h HIS 572 Ca 0.07 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.59 1twh h HIS 572 Cb 0.46 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.44 1twh h HIS 572 CO 0.04 0.00 -0.98 1.04 -3.07 0.00 0.00 177.93 174.96 1twh n GLN 573 N -3.35 1.97 -3.49 5.12 6.02 -0.99 -4.53 117.38 118.13 1twh n GLN 573 Ca -0.02 -0.05 -0.27 0.00 -0.01 0.00 0.00 57.00 56.65 1twh n GLN 573 Cb 0.13 -1.13 -0.10 0.00 1.02 0.00 0.00 30.24 30.17 1twh n GLN 573 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1twh n SER 574 N -1.55 0.95 0.19 1.08 3.41 0.23 -4.97 113.62 112.97 1twh n SER 574 Ca 0.00 -2.75 0.04 0.00 -0.26 0.00 0.00 58.87 55.90 1twh n SER 574 Cb 0.22 -0.63 0.39 0.00 -0.26 0.00 0.00 64.21 63.93 1twh n SER 574 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1twh h PRO 575 N 5.13 0.00 -0.27 4.33 0.13 -1.71 -2.79 132.00 136.82 1twh h PRO 575 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1twh h PRO 575 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1twh h PRO 575 CO 0.52 0.35 0.00 -0.25 -0.23 0.00 0.00 178.00 178.39 1twh n ASP 576 N -3.96 1.00 -4.80 1.44 8.00 -1.26 -4.92 116.55 112.04 1twh n ASP 576 Ca -0.02 -2.03 -0.37 0.00 0.71 0.00 0.00 54.79 53.09 1twh n ASP 576 Cb 0.41 -0.17 -0.06 0.00 -0.02 0.00 0.00 41.12 41.28 1twh n ASP 576 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1twh s ALA 577 N -1.73 3.32 -0.21 2.24 0.00 -1.05 -4.94 121.76 119.38 1twh s ALA 577 Ca 0.10 0.33 -0.16 0.00 0.00 0.00 0.00 51.96 52.24 1twh s ALA 577 Cb 0.06 -2.99 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 1twh s ALA 577 CO 0.06 0.26 0.40 0.99 0.00 0.00 0.00 175.76 177.47 1twh s THR 578 N -1.56 5.20 0.10 0.00 2.01 -0.11 -4.84 115.64 116.44 1twh s THR 578 Ca 0.46 0.69 -0.28 0.00 0.31 0.00 0.00 61.69 62.88 1twh s THR 578 Cb -0.18 -3.73 -0.06 0.00 0.01 0.00 0.00 72.50 68.55 1twh s THR 578 CO 0.22 0.24 0.87 -0.13 -0.69 0.00 0.00 174.62 175.13 1twh s ARG 579 N 1.37 4.62 -0.18 4.92 0.52 0.12 -0.92 118.95 129.41 1twh s ARG 579 Ca 0.19 1.28 -0.01 0.00 -0.52 0.00 0.00 55.73 56.66 1twh s ARG 579 Cb -0.15 -3.35 -0.00 0.00 0.52 0.00 0.00 34.95 31.96 1twh s ARG 579 CO 0.08 0.29 -0.11 0.08 0.02 0.00 0.00 175.30 175.66 1twh s VAL 580 N -0.20 2.96 0.07 3.52 1.01 0.40 -1.83 120.40 126.32 1twh s VAL 580 Ca 0.42 -0.66 0.09 0.00 0.00 0.00 0.00 61.98 61.84 1twh s VAL 580 Cb -0.22 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 1twh s VAL 580 CO 0.27 0.48 -0.25 -0.36 0.00 0.00 0.00 175.10 175.24 1twh s PHE 581 N 1.03 2.18 -0.04 5.22 0.40 -0.58 -2.21 117.98 123.98 1twh s PHE 581 Ca -0.01 -0.40 -0.01 0.00 -0.60 0.00 0.00 56.93 55.91 1twh s PHE 581 Cb -0.15 -1.27 0.03 0.00 0.51 0.00 0.00 43.02 42.15 1twh s PHE 581 CO -0.02 0.18 0.07 0.08 0.70 0.00 0.00 175.22 176.23 1twh s VAL 582 N -0.89 -0.09 -1.25 -0.44 1.01 -0.51 0.71 120.40 118.93 1twh s VAL 582 Ca 0.11 0.29 -0.16 0.00 0.00 0.00 0.00 61.98 62.22 1twh s VAL 582 Cb -0.10 -0.15 0.16 0.00 0.00 0.00 0.00 36.38 36.29 1twh s VAL 582 CO 0.03 0.12 0.40 0.59 0.00 0.00 0.00 175.10 176.24 1twh n ASN 583 N 4.63 -1.51 0.00 3.32 3.02 -0.18 -0.72 115.26 123.83 1twh n ASN 583 Ca -0.18 -0.68 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 1twh n ASN 583 Cb 0.50 -1.35 0.00 0.00 -0.61 0.00 0.00 39.78 38.32 1twh n ASN 583 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1twh n GLY 584 N -0.86 0.56 3.67 7.41 0.00 -1.26 -4.94 105.19 109.77 1twh n GLY 584 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1twh n GLY 584 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1twh s VAL 585 N -2.16 5.19 -0.51 1.61 1.01 0.10 -4.89 120.40 120.76 1twh s VAL 585 Ca 0.00 0.75 -0.28 0.00 0.00 0.00 0.00 61.98 62.46 1twh s VAL 585 Cb 0.00 -3.75 -0.00 0.00 0.00 0.00 0.00 36.38 32.63 1twh s VAL 585 CO 0.00 0.25 1.58 0.86 0.00 0.00 0.00 175.10 177.79 1twh s TRP 586 N 1.29 2.08 -0.02 5.22 -0.00 -1.26 -1.42 118.94 124.82 1twh s TRP 586 Ca 0.20 0.59 0.12 0.00 -0.00 0.00 0.00 56.10 57.01 1twh s TRP 586 Cb -0.15 -4.27 -0.20 0.00 -0.00 0.00 0.00 33.47 28.85 1twh s TRP 586 CO 0.08 -2.23 0.85 0.45 -0.00 0.00 0.00 176.95 176.10 1twh h HIS 587 N 12.17 0.00 0.00 5.86 3.86 -1.82 -3.47 115.15 131.74 1twh h HIS 587 Ca -0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 1twh h HIS 587 Cb 1.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.59 1twh h HIS 587 CO 1.01 0.92 0.00 0.41 0.86 0.00 0.00 177.93 181.14 1twh n GLY 588 N 1.48 -0.78 3.05 2.45 0.00 -1.22 -3.31 105.19 106.84 1twh n GLY 588 Ca -0.12 0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1twh n GLY 588 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1twh s VAL 589 N -2.05 0.03 -0.03 1.61 0.11 -0.68 0.15 120.40 119.53 1twh s VAL 589 Ca 0.00 -0.22 -0.03 0.00 -2.93 0.00 0.00 61.98 58.80 1twh s VAL 589 Cb 0.00 -0.28 0.01 0.00 -1.53 0.00 0.00 36.38 34.58 1twh s VAL 589 CO 0.00 -0.12 0.08 -2.28 -3.33 0.00 0.00 175.10 169.45 1twh s HIS 590 N -0.38 -0.08 -0.06 1.54 5.04 -0.10 -1.94 115.29 119.31 1twh s HIS 590 Ca -0.05 0.21 0.19 0.00 -1.54 0.00 0.00 55.06 53.87 1twh s HIS 590 Cb -0.03 0.01 -0.28 0.00 0.04 0.00 0.00 32.58 32.32 1twh s HIS 590 CO 0.01 -0.05 0.35 0.54 -2.34 0.00 0.00 174.74 173.25 1twh n ARG 591 N 3.15 0.68 -3.39 2.88 1.74 -1.26 -0.93 116.66 119.53 1twh n ARG 591 Ca -0.14 -0.14 -0.34 0.00 -0.77 0.00 0.00 57.85 56.46 1twh n ARG 591 Cb 0.59 -1.46 -0.05 0.00 -1.02 0.00 0.00 32.46 30.52 1twh n ARG 591 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1twh n ASN 592 N -2.27 4.64 0.18 0.55 3.02 -1.26 -4.90 115.26 115.22 1twh n ASN 592 Ca -0.09 -3.33 0.17 0.00 -0.03 0.00 0.00 54.58 51.30 1twh n ASN 592 Cb 0.62 -0.96 0.79 0.00 -0.61 0.00 0.00 39.78 39.61 1twh n ASN 592 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1twh h PRO 593 N 5.14 0.00 0.00 3.52 0.13 -1.96 -1.24 132.00 137.60 1twh h PRO 593 Ca 0.19 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.31 1twh h PRO 593 Cb 0.70 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 1twh h PRO 593 CO 0.98 0.00 -0.03 0.00 -0.23 0.00 0.00 178.00 178.73 1twh h ALA 594 N 1.79 0.99 -0.55 -0.56 0.00 -1.97 0.21 119.26 119.17 1twh h ALA 594 Ca 0.10 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1twh h ALA 594 Cb 0.51 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1twh h ALA 594 CO -0.00 0.03 0.06 0.00 0.00 0.00 0.00 179.25 179.34 1twh h ARG 595 N 0.00 0.94 -0.06 0.00 -0.00 -1.66 -2.71 114.38 110.88 1twh h ARG 595 Ca -0.00 -0.27 -0.00 0.00 -0.50 0.00 0.00 59.98 59.21 1twh h ARG 595 Cb 0.93 -0.10 -0.00 0.00 0.00 0.00 0.00 29.97 30.80 1twh h ARG 595 CO 0.00 0.91 0.03 1.25 0.00 0.00 0.00 179.97 182.17 1twh h LEU 596 N 0.82 0.07 -0.68 3.04 5.85 -1.02 -2.49 115.31 120.90 1twh h LEU 596 Ca 0.17 -0.07 0.14 0.00 0.84 0.00 0.00 57.88 58.95 1twh h LEU 596 Cb 0.45 -0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.36 1twh h LEU 596 CO 0.02 0.12 0.15 -0.03 -0.34 0.00 0.00 178.44 178.36 1twh h MET 597 N 0.01 0.26 -0.48 1.25 4.05 -1.07 0.11 114.93 119.05 1twh h MET 597 Ca 0.02 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.36 1twh h MET 597 Cb 0.07 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.79 1twh h MET 597 CO -0.00 0.17 0.06 0.93 0.23 0.00 0.00 176.91 178.30 1twh h GLU 598 N 0.27 0.80 0.13 0.39 5.08 -1.12 -0.71 114.58 119.42 1twh h GLU 598 Ca 0.37 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1twh h GLU 598 Cb 0.61 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1twh h GLU 598 CO -0.47 0.82 -0.06 1.15 -1.00 0.00 0.00 179.01 179.45 1twh h THR 599 N 0.67 0.76 -0.97 1.13 2.02 -1.32 -0.30 112.91 114.90 1twh h THR 599 Ca 0.14 -1.24 0.19 0.00 0.77 0.00 0.00 66.41 66.27 1twh h THR 599 Cb 0.42 1.34 -0.18 0.00 -1.74 0.00 0.00 68.15 67.99 1twh h THR 599 CO 0.01 0.22 -0.25 -0.07 0.37 0.00 0.00 175.52 175.80 1twh h LEU 600 N -0.93 -0.93 -0.34 2.58 3.38 -0.72 -0.64 115.31 117.71 1twh h LEU 600 Ca -0.02 0.29 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 1twh h LEU 600 Cb 0.49 0.61 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1twh h LEU 600 CO 0.03 -0.32 0.21 0.03 0.09 0.00 0.00 178.44 178.48 1twh h ARG 601 N -0.00 0.46 -0.29 1.13 3.08 -0.94 0.30 114.38 118.11 1twh h ARG 601 Ca 0.46 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.55 1twh h ARG 601 Cb 0.70 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1twh h ARG 601 CO -1.00 0.35 0.24 1.15 -1.07 0.00 0.00 179.97 179.64 1twh h THR 602 N 0.44 0.69 0.08 2.04 2.02 0.42 0.21 112.91 118.80 1twh h THR 602 Ca 0.12 0.00 -0.27 0.00 0.77 0.00 0.00 66.41 67.04 1twh h THR 602 Cb 0.01 0.82 0.03 0.00 -1.74 0.00 0.00 68.15 67.27 1twh h THR 602 CO -0.02 0.00 -1.08 -0.07 0.37 0.00 0.00 175.52 174.71 1twh h LEU 603 N 0.00 0.82 -0.75 2.58 3.38 -0.08 -3.17 115.31 118.09 1twh h LEU 603 Ca 0.14 -0.80 -0.11 0.00 0.09 0.00 0.00 57.88 57.20 1twh h LEU 603 Cb 0.62 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1twh h LEU 603 CO -0.00 1.53 -0.51 -0.09 0.09 0.00 0.00 178.44 179.46 1twh h ARG 604 N 0.21 0.00 0.00 1.13 2.43 0.18 0.27 114.38 118.60 1twh h ARG 604 Ca -0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1twh h ARG 604 Cb 1.77 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.32 1twh h ARG 604 CO 0.21 0.51 0.00 0.54 -1.51 0.00 0.00 179.97 179.72 1twh n ARG 605 N -3.60 0.02 -0.00 0.20 1.74 0.49 -2.84 116.66 112.68 1twh n ARG 605 Ca -0.00 0.36 0.02 0.00 -0.77 0.00 0.00 57.85 57.46 1twh n ARG 605 Cb 0.59 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.50 1twh n ARG 605 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1twh n LYS 606 N -1.44 2.19 0.00 5.56 4.81 -1.07 -2.60 118.16 125.61 1twh n LYS 606 Ca 0.02 -0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1twh n LYS 606 Cb 0.05 -0.94 0.00 0.00 0.02 0.00 0.00 35.03 34.16 1twh n LYS 606 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1twh n GLY 607 N 1.84 0.99 0.26 3.14 0.00 -0.69 -4.85 105.19 105.88 1twh n GLY 607 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1twh n GLY 607 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1twh h ASP 608 N 0.00 0.72 -3.54 1.61 5.19 -0.75 -3.40 116.42 116.24 1twh h ASP 608 Ca 0.00 -0.24 -0.68 0.00 -0.62 0.00 0.00 57.03 55.49 1twh h ASP 608 Cb 0.00 -0.20 -0.17 0.00 0.18 0.00 0.00 39.33 39.15 1twh h ASP 608 CO 0.00 0.91 -0.68 -0.63 -3.12 0.00 0.00 179.24 175.72 1twh s ILE 609 N -4.64 3.83 0.55 0.35 1.01 -1.05 -4.94 121.20 116.31 1twh s ILE 609 Ca -0.09 -0.63 -0.22 0.00 0.00 0.00 0.00 60.65 59.71 1twh s ILE 609 Cb 0.13 -2.65 -0.05 0.00 0.01 0.00 0.00 42.46 39.90 1twh s ILE 609 CO 0.82 0.45 1.35 0.21 0.00 0.00 0.00 174.94 177.77 1twh s ASN 610 N -1.29 5.28 0.33 3.58 3.84 -1.26 -4.49 114.94 120.94 1twh s ASN 610 Ca 0.16 2.74 0.19 0.00 0.21 0.00 0.00 52.86 56.17 1twh s ASN 610 Cb -0.11 -2.63 1.03 0.00 -0.55 0.00 0.00 41.25 38.98 1twh s ASN 610 CO 0.06 -1.56 1.54 -2.65 -2.79 0.00 0.00 177.10 171.71 1twh n PRO 611 N -1.03 0.12 0.00 0.43 -0.02 -1.26 -1.76 135.00 131.48 1twh n PRO 611 Ca 0.10 0.62 0.11 0.00 -2.02 0.00 0.00 63.50 62.31 1twh n PRO 611 Cb 0.45 -2.02 -0.01 0.00 -0.02 0.00 0.00 33.50 31.90 1twh n PRO 611 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1twh n GLU 612 N -2.20 0.90 -2.01 -0.52 0.28 -1.26 -4.50 120.64 111.32 1twh n GLU 612 Ca -0.01 -0.73 -0.36 0.00 -0.16 0.00 0.00 57.16 55.89 1twh n GLU 612 Cb 0.14 -1.48 0.03 0.00 1.43 0.00 0.00 31.44 31.56 1twh n GLU 612 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1twh s VAL 613 N -2.61 2.62 -0.03 3.84 1.01 -0.72 -4.95 120.40 119.56 1twh s VAL 613 Ca 0.16 0.40 0.07 0.00 0.00 0.00 0.00 61.98 62.61 1twh s VAL 613 Cb 0.18 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 1twh s VAL 613 CO 0.64 -0.07 -0.24 -0.55 0.00 0.00 0.00 175.10 174.88 1twh s SER 614 N -1.52 2.81 -0.18 3.32 0.15 -0.45 -4.98 113.70 112.85 1twh s SER 614 Ca 0.76 -0.44 -0.07 0.00 0.70 0.00 0.00 55.95 56.89 1twh s SER 614 Cb -0.31 -0.45 0.08 0.00 -1.71 0.00 0.00 66.02 63.63 1twh s SER 614 CO 0.34 0.27 0.40 -0.04 1.20 0.00 0.00 173.24 175.41 1twh s MET 615 N -0.43 0.33 -0.14 5.44 -1.94 -1.26 -1.48 119.30 119.82 1twh s MET 615 Ca 0.05 0.93 -0.02 0.00 -1.71 0.00 0.00 55.69 54.94 1twh s MET 615 Cb -0.10 0.18 0.05 0.00 2.01 0.00 0.00 34.83 36.97 1twh s MET 615 CO 0.00 -0.22 0.02 0.42 -0.01 0.00 0.00 175.02 175.22 1twh s ILE 616 N 2.21 0.50 -0.15 2.53 1.09 -0.82 -4.89 121.20 121.68 1twh s ILE 616 Ca -0.04 -0.30 -0.06 0.00 -1.10 0.00 0.00 60.65 59.15 1twh s ILE 616 Cb -0.11 -0.85 -0.04 0.00 -1.06 0.00 0.00 42.46 40.40 1twh s ILE 616 CO -0.12 -0.00 0.06 -0.60 -0.10 0.00 0.00 174.94 174.18 1twh s ARG 617 N 1.89 3.62 -0.27 2.79 3.52 -1.26 -2.20 118.95 127.04 1twh s ARG 617 Ca 0.02 -0.31 -0.03 0.00 -0.13 0.00 0.00 55.73 55.27 1twh s ARG 617 Cb -0.15 -3.10 0.02 0.00 -1.56 0.00 0.00 34.95 30.16 1twh s ARG 617 CO -0.07 0.49 -0.01 0.34 -0.81 0.00 0.00 175.30 175.24 1twh s ASP 618 N -0.23 4.64 0.10 -2.12 -1.08 -0.21 -4.95 116.67 112.83 1twh s ASP 618 Ca 0.08 -0.88 0.08 0.00 -0.52 0.00 0.00 52.55 51.31 1twh s ASP 618 Cb -0.12 -1.74 -0.20 0.00 -1.46 0.00 0.00 42.92 39.40 1twh s ASP 618 CO 0.01 -0.17 1.20 0.40 0.52 0.00 0.00 175.17 177.14 1twh h ILE 619 N 6.10 1.55 -0.01 4.11 2.04 -1.97 -1.29 117.51 128.04 1twh h ILE 619 Ca -0.31 -3.26 0.00 0.00 1.00 0.00 0.00 64.86 62.30 1twh h ILE 619 Cb 1.11 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.95 1twh h ILE 619 CO 0.58 0.88 -0.75 0.54 0.00 0.00 0.00 178.15 179.40 1twh n ARG 620 N -3.30 0.83 0.00 2.37 1.74 -1.26 -3.05 116.66 113.99 1twh n ARG 620 Ca -0.02 -0.34 0.12 0.00 -0.77 0.00 0.00 57.85 56.84 1twh n ARG 620 Cb 0.94 -1.42 0.18 0.00 -1.02 0.00 0.00 32.46 31.14 1twh n ARG 620 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1twh n GLU 621 N -0.96 0.41 -3.88 5.56 4.07 -1.10 -4.98 120.64 119.77 1twh n GLU 621 Ca 0.05 -0.28 -0.29 0.00 -0.06 0.00 0.00 57.16 56.59 1twh n GLU 621 Cb 0.35 -1.49 0.03 0.00 -0.06 0.00 0.00 31.44 30.26 1twh n GLU 621 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1twh n LYS 622 N -1.05 -5.45 -4.29 5.31 5.02 -0.51 -4.90 118.16 112.29 1twh n LYS 622 Ca 0.08 0.60 -0.23 0.00 -2.02 0.00 0.00 58.31 56.74 1twh n LYS 622 Cb 0.36 -5.43 -0.12 0.00 -0.02 0.00 0.00 35.03 29.81 1twh n LYS 622 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1twh s GLU 623 N -6.51 1.15 -0.08 1.97 2.02 -1.07 0.15 118.70 116.34 1twh s GLU 623 Ca 0.54 -1.22 -0.03 0.00 0.02 0.00 0.00 54.97 54.28 1twh s GLU 623 Cb -0.27 -1.34 0.04 0.00 0.10 0.00 0.00 34.13 32.67 1twh s GLU 623 CO 0.83 0.30 0.14 -1.17 0.02 0.00 0.00 175.26 175.38 1twh s LEU 624 N -2.12 -0.03 -0.08 1.80 2.96 -0.76 -1.04 118.68 119.40 1twh s LEU 624 Ca 0.09 0.28 0.03 0.00 -0.22 0.00 0.00 54.13 54.31 1twh s LEU 624 Cb -0.09 0.19 0.01 0.00 0.50 0.00 0.00 46.19 46.80 1twh s LEU 624 CO 0.05 -0.25 -0.18 -0.54 -1.32 0.00 0.00 176.35 174.11 1twh s LYS 625 N 2.27 2.32 0.09 1.98 1.02 -0.93 -1.52 119.74 124.96 1twh s LYS 625 Ca 0.04 -0.63 0.07 0.00 0.02 0.00 0.00 55.97 55.46 1twh s LYS 625 Cb -0.12 -1.82 -0.03 0.00 -0.52 0.00 0.00 37.83 35.34 1twh s LYS 625 CO -0.05 0.11 -0.19 0.42 -0.92 0.00 0.00 175.35 174.72 1twh s ILE 626 N 0.49 1.50 -0.04 2.17 1.01 0.22 -1.95 121.20 124.61 1twh s ILE 626 Ca -0.16 -1.43 -0.01 0.00 0.00 0.00 0.00 60.65 59.05 1twh s ILE 626 Cb -0.17 -1.38 0.03 0.00 0.01 0.00 0.00 42.46 40.95 1twh s ILE 626 CO 0.06 -0.09 0.03 -0.36 0.00 0.00 0.00 174.94 174.57 1twh s PHE 627 N -1.16 0.21 0.00 3.97 0.40 -0.55 -1.01 117.98 119.84 1twh s PHE 627 Ca 0.04 0.09 0.00 0.00 -0.60 0.00 0.00 56.93 56.46 1twh s PHE 627 Cb -0.10 -0.44 0.00 0.00 0.51 0.00 0.00 43.02 43.00 1twh s PHE 627 CO 0.03 -0.16 0.45 0.25 0.70 0.00 0.00 175.22 176.49 1twh n THR 628 N 4.64 0.00 -2.06 0.64 -2.24 -1.26 -1.35 114.28 112.65 1twh n THR 628 Ca -0.17 -0.48 -0.33 0.00 -2.27 0.00 0.00 64.05 60.81 1twh n THR 628 Cb 0.50 1.05 0.01 0.00 -2.10 0.00 0.00 70.33 69.79 1twh n THR 628 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1twh s ASP 629 N -0.05 5.79 0.98 3.42 -4.77 -1.26 -0.83 116.67 119.95 1twh s ASP 629 Ca 0.00 1.83 -0.16 0.00 -3.30 0.00 0.00 52.55 50.92 1twh s ASP 629 Cb 0.00 -2.54 0.20 0.00 -1.09 0.00 0.00 42.92 39.49 1twh s ASP 629 CO 0.00 -1.16 1.27 0.00 0.70 0.00 0.00 175.17 175.98 1twh s ALA 630 N -2.42 2.00 0.00 2.11 0.00 -1.26 -4.26 121.76 117.92 1twh s ALA 630 Ca 0.64 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1twh s ALA 630 Cb -0.16 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.13 1twh s ALA 630 CO 0.36 -2.54 0.00 0.41 0.00 0.00 0.00 175.76 173.99 1twh n GLY 631 N -3.20 1.78 3.74 0.00 0.00 -1.11 -4.85 105.19 101.55 1twh n GLY 631 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1twh n GLY 631 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1twh s ARG 632 N -0.20 4.52 0.07 1.61 0.52 -1.26 -0.50 118.95 123.70 1twh s ARG 632 Ca 0.00 1.12 -0.06 0.00 -0.52 0.00 0.00 55.73 56.28 1twh s ARG 632 Cb 0.00 -3.39 -0.05 0.00 0.52 0.00 0.00 34.95 32.03 1twh s ARG 632 CO 0.00 0.21 0.32 0.08 0.02 0.00 0.00 175.30 175.93 1twh s VAL 633 N 0.18 5.23 0.36 3.52 1.01 -1.26 -0.94 120.40 128.49 1twh s VAL 633 Ca 0.41 0.10 -0.12 0.00 0.00 0.00 0.00 61.98 62.37 1twh s VAL 633 Cb -0.20 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.60 1twh s VAL 633 CO 0.24 0.21 0.67 -0.72 0.00 0.00 0.00 175.10 175.50 1twh s TYR 634 N -1.46 0.40 0.22 5.22 -0.85 -0.66 -4.17 117.35 116.04 1twh s TYR 634 Ca 0.34 -0.90 -0.17 0.00 -0.52 0.00 0.00 57.07 55.82 1twh s TYR 634 Cb -0.13 0.51 0.02 0.00 0.38 0.00 0.00 41.96 42.74 1twh s TYR 634 CO 0.21 -1.38 0.53 -0.98 -1.52 0.00 0.00 175.55 172.41 1twh s ARG 635 N -2.77 1.48 0.06 -3.49 1.70 -0.60 -2.15 118.95 113.18 1twh s ARG 635 Ca 0.20 -0.99 0.00 0.00 -0.47 0.00 0.00 55.73 54.47 1twh s ARG 635 Cb -0.03 0.52 -0.04 0.00 -0.57 0.00 0.00 34.95 34.82 1twh s ARG 635 CO 0.14 -0.63 0.20 -1.25 -1.08 0.00 0.00 175.30 172.68 1twh s PRO 636 N -3.92 3.41 0.03 3.89 0.04 -1.26 0.17 135.00 137.36 1twh s PRO 636 Ca 0.13 -0.45 -0.01 0.00 0.04 0.00 0.00 61.00 60.71 1twh s PRO 636 Cb -0.02 -3.03 -0.03 0.00 0.04 0.00 0.00 34.50 31.47 1twh s PRO 636 CO 0.02 0.61 -0.01 -0.51 0.04 0.00 0.00 177.00 177.15 1twh s LEU 637 N -2.49 2.26 0.39 -3.56 1.43 -0.96 -4.69 118.68 111.06 1twh s LEU 637 Ca 0.34 -0.70 -0.25 0.00 -1.03 0.00 0.00 54.13 52.50 1twh s LEU 637 Cb -0.13 0.23 -0.09 0.00 0.03 0.00 0.00 46.19 46.23 1twh s LEU 637 CO 0.27 -0.45 1.08 -0.36 0.23 0.00 0.00 176.35 177.13 1twh s PHE 638 N -2.60 3.25 0.09 0.29 2.99 -0.29 -2.66 117.98 119.05 1twh s PHE 638 Ca -0.05 1.63 -0.10 0.00 0.00 0.00 0.00 56.93 58.41 1twh s PHE 638 Cb -0.02 -3.21 -0.06 0.00 0.00 0.00 0.00 43.02 39.74 1twh s PHE 638 CO -0.05 -0.78 0.41 0.42 -0.00 0.00 0.00 175.22 175.21 1twh s ILE 639 N -1.54 5.09 -0.10 0.64 -1.09 -0.83 0.14 121.20 123.51 1twh s ILE 639 Ca 0.56 0.44 0.02 0.00 -2.23 0.00 0.00 60.65 59.44 1twh s ILE 639 Cb -0.25 -3.65 0.01 0.00 -1.58 0.00 0.00 42.46 37.00 1twh s ILE 639 CO 0.32 0.26 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.44 1twh s VAL 640 N -1.42 1.56 -0.00 2.92 1.01 -1.12 -2.25 120.40 121.09 1twh s VAL 640 Ca 0.34 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1twh s VAL 640 Cb -0.14 -1.41 -0.00 0.00 0.00 0.00 0.00 36.38 34.83 1twh s VAL 640 CO 0.19 0.45 0.02 -1.61 0.00 0.00 0.00 175.10 174.15 1twh s GLU 641 N 0.87 0.16 -0.65 2.72 0.41 -0.14 -4.64 118.70 117.42 1twh s GLU 641 Ca -0.09 -0.19 -0.22 0.00 -0.41 0.00 0.00 54.97 54.06 1twh s GLU 641 Cb -0.15 0.06 0.07 0.00 -1.78 0.00 0.00 34.13 32.33 1twh s GLU 641 CO 0.00 -0.03 0.94 0.16 -0.49 0.00 0.00 175.26 175.84 1twh s ASP 642 N -0.56 6.17 0.00 -0.19 -4.77 -1.26 -2.39 116.67 113.68 1twh s ASP 642 Ca -0.06 -1.04 0.00 0.00 -3.30 0.00 0.00 52.55 48.14 1twh s ASP 642 Cb -0.04 -2.41 0.00 0.00 -1.09 0.00 0.00 42.92 39.39 1twh s ASP 642 CO -0.00 -1.41 0.00 -0.67 0.70 0.00 0.00 175.17 173.79 1twh n ASP 643 N 7.55 0.00 -1.64 2.11 2.03 -1.26 -5.01 116.55 120.33 1twh n ASP 643 Ca -0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.27 1twh n ASP 643 Cb 0.45 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 1twh n ASP 643 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1twh n GLU 644 N 0.00 -2.91 0.00 -0.67 1.02 -1.26 -4.45 120.64 112.36 1twh n GLU 644 Ca 0.00 2.32 0.00 0.00 -0.02 0.00 0.00 57.16 59.46 1twh n GLU 644 Cb 0.00 -2.69 0.00 0.00 -0.02 0.00 0.00 31.44 28.73 1twh n GLU 644 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1twh n SER 645 N 1.01 0.00 -1.59 1.62 2.88 -1.26 -1.93 113.62 114.35 1twh n SER 645 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1twh n SER 645 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1twh n SER 645 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1twh n LEU 646 N 0.00 0.00 0.00 2.46 4.77 -1.26 -4.84 117.00 118.13 1twh n LEU 646 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1twh n LEU 646 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1twh n LEU 646 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1twh n GLY 647 N 0.60 2.06 3.18 -0.72 0.00 -0.81 -4.97 105.19 104.52 1twh n GLY 647 Ca 0.00 -0.67 -0.21 0.00 0.00 0.00 0.00 46.02 45.14 1twh n GLY 647 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1twh n HIS 648 N 0.00 -3.37 -2.52 1.61 -0.00 -1.26 -5.01 115.22 104.67 1twh n HIS 648 Ca 0.00 -1.28 -0.34 0.00 -0.00 0.00 0.00 57.72 56.11 1twh n HIS 648 Cb 0.00 -0.69 -0.03 0.00 -0.00 0.00 0.00 29.99 29.27 1twh n HIS 648 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1twh s LYS 649 N -4.89 3.79 0.00 -1.40 1.02 -1.26 -4.59 119.74 112.40 1twh s LYS 649 Ca 0.57 1.34 -0.26 0.00 0.02 0.00 0.00 55.97 57.64 1twh s LYS 649 Cb -0.03 -2.09 0.06 0.00 -0.52 0.00 0.00 37.83 35.25 1twh s LYS 649 CO 0.39 -0.44 0.59 -2.00 -0.92 0.00 0.00 175.35 172.96 1twh s GLU 650 N -3.30 1.03 0.11 1.68 2.56 -1.00 -4.73 118.70 115.05 1twh s GLU 650 Ca 0.67 -0.00 -0.31 0.00 0.00 0.00 0.00 54.97 55.32 1twh s GLU 650 Cb -0.16 0.48 -0.09 0.00 2.00 0.00 0.00 34.13 36.36 1twh s GLU 650 CO 0.21 -0.35 1.56 -0.51 -0.56 0.00 0.00 175.26 175.61 1twh s LEU 651 N -1.59 4.36 0.28 2.70 1.43 -1.26 -0.96 118.68 123.64 1twh s LEU 651 Ca -0.08 2.48 -0.00 0.00 -1.03 0.00 0.00 54.13 55.49 1twh s LEU 651 Cb -0.01 -3.58 0.64 0.00 0.03 0.00 0.00 46.19 43.27 1twh s LEU 651 CO 0.04 -0.81 1.65 0.11 0.23 0.00 0.00 176.35 177.57 1twh h LYS 652 N 7.46 0.21 -7.21 1.70 1.57 -1.77 -3.42 116.57 115.11 1twh h LYS 652 Ca -0.42 -0.01 -0.53 0.00 -1.87 0.00 0.00 60.65 57.81 1twh h LYS 652 Cb 1.20 -0.05 0.17 0.00 0.08 0.00 0.00 32.23 33.64 1twh h LYS 652 CO 0.91 0.14 0.35 0.14 -0.57 0.00 0.00 179.45 180.42 1twh s VAL 653 N -5.97 2.19 0.32 0.50 -7.23 -1.26 -5.00 120.40 103.95 1twh s VAL 653 Ca -0.12 0.09 -0.04 0.00 -1.81 0.00 0.00 61.98 60.09 1twh s VAL 653 Cb 0.25 -2.51 0.02 0.00 0.56 0.00 0.00 36.38 34.69 1twh s VAL 653 CO 0.77 -0.06 0.50 0.54 -0.31 0.00 0.00 175.10 176.53 1twh n ARG 654 N -3.19 0.71 0.23 4.82 5.12 -1.26 -4.29 116.66 118.80 1twh n ARG 654 Ca 0.13 -2.35 0.12 0.00 -1.93 0.00 0.00 57.85 53.82 1twh n ARG 654 Cb 0.51 2.40 0.73 0.00 -1.16 0.00 0.00 32.46 34.93 1twh n ARG 654 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1twh h LYS 655 N 0.00 0.00 -0.03 5.56 1.79 -1.05 0.45 116.57 123.29 1twh h LYS 655 Ca -0.25 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.02 1twh h LYS 655 Cb 1.06 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.70 1twh h LYS 655 CO 0.34 0.00 -0.82 0.78 -1.08 0.00 0.00 179.45 178.66 1twh h GLY 656 N 0.00 0.37 1.21 3.86 0.00 -1.41 -2.02 103.07 105.08 1twh h GLY 656 Ca 0.04 -0.59 -0.11 0.00 0.00 0.00 0.00 47.33 46.67 1twh h GLY 656 CO -0.00 0.52 -0.13 0.45 0.00 0.00 0.00 176.54 177.38 1twh h HIS 657 N 0.21 1.02 0.00 5.60 3.86 -0.33 -2.27 115.15 123.24 1twh h HIS 657 Ca -0.05 -0.21 -0.09 0.00 -1.16 0.00 0.00 60.37 58.87 1twh h HIS 657 Cb 1.43 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 29.63 1twh h HIS 657 CO 0.04 0.98 -0.41 0.82 0.86 0.00 0.00 177.93 180.22 1twh h ILE 658 N 0.82 1.25 -0.08 2.45 1.08 -1.21 -0.33 117.51 121.48 1twh h ILE 658 Ca 0.13 -1.44 -0.13 0.00 -0.39 0.00 0.00 64.86 63.03 1twh h ILE 658 Cb 0.67 1.78 -0.01 0.00 -3.07 0.00 0.00 36.82 36.19 1twh h ILE 658 CO 0.05 0.40 -0.52 0.00 -0.69 0.00 0.00 178.15 177.39 1twh h ALA 659 N 1.59 0.96 -0.89 1.87 0.00 -0.98 -0.17 119.26 121.65 1twh h ALA 659 Ca -0.00 -0.49 0.14 0.00 0.00 0.00 0.00 54.91 54.56 1twh h ALA 659 Cb 0.75 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 1twh h ALA 659 CO 0.05 0.67 0.57 0.87 0.00 0.00 0.00 179.25 181.42 1twh h LYS 660 N 0.18 0.67 -0.02 0.00 1.57 -0.52 0.26 116.57 118.71 1twh h LYS 660 Ca 0.00 -0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 58.51 1twh h LYS 660 Cb 0.98 -0.15 0.02 0.00 0.08 0.00 0.00 32.23 33.16 1twh h LYS 660 CO 0.08 0.45 -0.88 -0.07 -0.57 0.00 0.00 179.45 178.45 1twh h LEU 661 N 0.69 0.81 -0.48 2.94 3.38 -0.49 -1.61 115.31 120.55 1twh h LEU 661 Ca 0.44 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1twh h LEU 661 Cb 0.71 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1twh h LEU 661 CO -0.20 1.43 0.00 0.23 0.09 0.00 0.00 178.44 179.99 1twh n MET 662 N -3.97 0.19 0.08 1.13 2.81 -0.20 -0.37 117.12 116.79 1twh n MET 662 Ca -0.10 0.36 -0.05 0.00 -1.81 0.00 0.00 57.70 56.09 1twh n MET 662 Cb 0.80 -1.82 -0.08 0.00 -0.71 0.00 0.00 33.22 31.42 1twh n MET 662 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1twh h ALA 663 N 2.36 0.44 -0.36 3.04 0.00 -0.05 -3.06 119.26 121.63 1twh h ALA 663 Ca 0.00 -0.81 -0.15 0.00 0.00 0.00 0.00 54.91 53.95 1twh h ALA 663 Cb 0.43 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1twh h ALA 663 CO 0.00 1.11 -0.37 1.15 0.00 0.00 0.00 179.25 181.14 1twh h THR 664 N 0.00 1.28 0.18 0.00 2.02 0.19 -2.57 112.91 114.00 1twh h THR 664 Ca -0.01 -1.54 -0.01 0.00 0.77 0.00 0.00 66.41 65.62 1twh h THR 664 Cb 1.66 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 69.47 1twh h THR 664 CO 0.12 0.51 -0.09 -0.08 0.37 0.00 0.00 175.52 176.35 1twh h GLU 665 N 0.70 -0.24 -1.27 6.66 4.81 -1.46 -2.48 114.58 121.31 1twh h GLU 665 Ca 0.06 0.02 0.37 0.00 -0.13 0.00 0.00 59.36 59.68 1twh h GLU 665 Cb 0.94 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 30.29 1twh h GLU 665 CO 0.09 0.04 0.86 -0.92 -0.73 0.00 0.00 179.01 178.34 1twh h TYR 666 N -0.51 0.37 -0.56 0.92 3.20 -1.51 -3.33 116.97 115.55 1twh h TYR 666 Ca -0.02 0.01 -0.73 0.00 3.14 0.00 0.00 58.73 61.13 1twh h TYR 666 Cb 0.39 -0.10 -0.08 0.00 1.54 0.00 0.00 36.73 38.47 1twh h TYR 666 CO 0.01 -0.05 2.72 1.04 -1.64 0.00 0.00 178.16 180.25 1twh n GLN 667 N -4.45 3.23 -0.06 1.82 6.02 -0.94 -5.11 117.38 117.89 1twh n GLN 667 Ca 0.31 -2.96 0.00 0.00 -0.01 0.00 0.00 57.00 54.34 1twh n GLN 667 Cb 1.27 -3.11 0.00 0.00 1.02 0.00 0.00 30.24 29.42 1twh n GLN 667 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1twh n ASP 668 N 5.00 0.00 -3.41 1.08 9.92 -1.26 -5.05 116.55 122.84 1twh n ASP 668 Ca 0.49 -0.61 -0.17 0.00 -0.53 0.00 0.00 54.79 53.97 1twh n ASP 668 Cb 0.37 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.75 1twh n ASP 668 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1twh s GLU 678 N 0.00 0.30 -0.05 -1.24 2.12 -1.26 -5.15 118.70 113.42 1twh s GLU 678 Ca 0.00 -0.04 0.05 0.00 0.36 0.00 0.00 54.97 55.34 1twh s GLU 678 Cb 0.00 -0.73 -0.01 0.00 0.26 0.00 0.00 34.13 33.65 1twh s GLU 678 CO 0.00 -0.94 -0.22 -0.47 -0.54 0.00 0.00 175.26 173.08 1twh s TYR 679 N 2.37 2.18 0.22 5.30 5.04 -1.26 -5.00 117.35 126.20 1twh s TYR 679 Ca 0.09 -0.65 -0.00 0.00 -2.44 0.00 0.00 57.07 54.07 1twh s TYR 679 Cb -0.14 -1.44 -0.04 0.00 0.35 0.00 0.00 41.96 40.68 1twh s TYR 679 CO -0.29 -0.21 0.12 0.99 -1.34 0.00 0.00 175.55 174.83 1twh s THR 680 N -0.08 0.20 0.31 4.34 2.01 -1.26 -4.64 115.64 116.53 1twh s THR 680 Ca -0.04 -2.00 0.07 0.00 0.31 0.00 0.00 61.69 60.03 1twh s THR 680 Cb -0.13 -2.54 0.33 0.00 0.01 0.00 0.00 72.50 70.17 1twh s THR 680 CO 0.03 -0.01 1.63 -0.25 -0.69 0.00 0.00 174.62 175.34 1twh h TRP 681 N 2.54 0.48 0.00 4.92 2.91 -1.95 0.36 115.95 125.21 1twh h TRP 681 Ca -0.37 0.05 -0.05 0.00 1.13 0.00 0.00 58.89 59.65 1twh h TRP 681 Cb 1.25 -0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 29.83 1twh h TRP 681 CO 0.39 -0.26 -0.26 0.77 -1.03 0.00 0.00 178.44 178.05 1twh h SER 682 N 0.19 0.00 -0.30 2.65 0.02 -1.96 -1.05 113.55 113.10 1twh h SER 682 Ca 0.63 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.58 1twh h SER 682 Cb 1.38 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.90 1twh h SER 682 CO -0.69 0.26 0.17 0.28 -1.14 0.00 0.00 176.83 175.70 1twh h SER 683 N 0.00 0.38 -0.17 3.07 0.02 -0.71 -0.17 113.55 115.98 1twh h SER 683 Ca -0.00 -0.08 0.05 0.00 -0.84 0.00 0.00 61.79 60.91 1twh h SER 683 Cb 0.46 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1twh h SER 683 CO 0.03 0.35 0.12 -0.07 -1.14 0.00 0.00 176.83 176.13 1twh h LEU 684 N 0.37 0.00 -0.24 5.07 3.38 -0.39 -2.20 115.31 121.31 1twh h LEU 684 Ca 0.11 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.90 1twh h LEU 684 Cb 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1twh h LEU 684 CO -0.02 0.00 -0.86 -0.07 0.09 0.00 0.00 178.44 177.58 1twh h LEU 685 N 0.00 0.00 -1.05 1.67 3.38 -0.89 -2.41 115.31 116.02 1twh h LEU 685 Ca 0.08 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1twh h LEU 685 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1twh h LEU 685 CO -0.00 0.86 -0.36 0.78 0.09 0.00 0.00 178.44 179.81 1twh h ASN 686 N 0.00 0.22 -0.16 -0.43 2.35 -0.60 -2.75 115.58 114.21 1twh h ASN 686 Ca -0.01 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1twh h ASN 686 Cb 1.54 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.85 1twh h ASN 686 CO 0.11 0.57 0.00 -0.62 -1.65 0.00 0.00 177.43 175.84 1twh n GLU 687 N -4.07 1.51 -1.43 0.81 1.02 -0.87 -4.18 120.64 113.44 1twh n GLU 687 Ca -0.01 -0.78 -0.11 0.00 -0.02 0.00 0.00 57.16 56.24 1twh n GLU 687 Cb 0.44 -1.29 -0.04 0.00 -0.02 0.00 0.00 31.44 30.53 1twh n GLU 687 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1twh n GLY 688 N 0.96 1.05 0.08 0.62 0.00 -1.04 -4.90 105.19 101.96 1twh n GLY 688 Ca 0.12 -0.52 -0.05 0.00 0.00 0.00 0.00 46.02 45.57 1twh n GLY 688 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1twh h LEU 689 N 0.00 0.00 -8.28 0.99 3.38 -1.68 -3.45 115.31 106.27 1twh h LEU 689 Ca -0.23 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.44 1twh h LEU 689 Cb 0.77 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.32 1twh h LEU 689 CO 0.32 0.91 -0.74 -0.69 0.09 0.00 0.00 178.44 178.33 1twh s VAL 690 N -2.74 0.71 -0.02 1.22 1.01 -1.22 -1.96 120.40 117.40 1twh s VAL 690 Ca 0.01 -1.29 -0.22 0.00 0.00 0.00 0.00 61.98 60.48 1twh s VAL 690 Cb 0.09 -0.90 0.04 0.00 0.00 0.00 0.00 36.38 35.61 1twh s VAL 690 CO 0.81 -0.43 0.47 -0.70 0.00 0.00 0.00 175.10 175.25 1twh s GLU 691 N -2.01 0.86 -0.15 2.72 2.12 -1.09 -4.50 118.70 116.66 1twh s GLU 691 Ca -0.04 -0.04 -0.15 0.00 0.36 0.00 0.00 54.97 55.10 1twh s GLU 691 Cb -0.07 0.39 -0.05 0.00 0.26 0.00 0.00 34.13 34.66 1twh s GLU 691 CO 0.00 -0.26 0.33 0.71 -0.54 0.00 0.00 175.26 175.50 1twh s TYR 692 N -1.44 3.48 -0.07 5.30 4.12 -1.26 -2.25 117.35 125.22 1twh s TYR 692 Ca -0.11 0.66 0.03 0.00 0.02 0.00 0.00 57.07 57.67 1twh s TYR 692 Cb -0.03 -2.38 0.01 0.00 -1.52 0.00 0.00 41.96 38.04 1twh s TYR 692 CO 0.06 0.24 -0.15 0.42 0.02 0.00 0.00 175.55 176.13 1twh s ILE 693 N 0.45 1.39 0.69 2.71 -1.09 0.13 -4.85 121.20 120.63 1twh s ILE 693 Ca 0.19 -0.63 0.01 0.00 -2.23 0.00 0.00 60.65 57.99 1twh s ILE 693 Cb -0.13 -1.24 0.12 0.00 -1.58 0.00 0.00 42.46 39.62 1twh s ILE 693 CO 0.05 0.41 0.95 1.51 -1.23 0.00 0.00 174.94 176.64 1twh s ASP 694 N 0.58 4.49 0.50 3.58 1.47 -1.26 -1.56 116.67 124.47 1twh s ASP 694 Ca -0.16 -0.44 0.20 0.00 1.18 0.00 0.00 52.55 53.33 1twh s ASP 694 Cb -0.16 0.02 1.27 0.00 -0.34 0.00 0.00 42.92 43.71 1twh s ASP 694 CO 0.05 -1.76 2.08 0.00 0.68 0.00 0.00 175.17 176.23 1twh h ALA 695 N -0.39 1.66 0.11 2.11 0.00 -1.91 -0.62 119.26 120.22 1twh h ALA 695 Ca -0.35 -0.09 -0.33 0.00 0.00 0.00 0.00 54.91 54.13 1twh h ALA 695 Cb 1.27 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1twh h ALA 695 CO 0.40 0.13 -1.73 1.49 0.00 0.00 0.00 179.25 179.55 1twh h GLU 696 N 0.00 0.24 0.00 0.00 4.57 -1.95 -3.02 114.58 114.43 1twh h GLU 696 Ca -0.00 -0.41 -0.04 0.00 -1.18 0.00 0.00 59.36 57.73 1twh h GLU 696 Cb 0.21 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1twh h GLU 696 CO 0.01 1.09 -0.18 1.49 -1.18 0.00 0.00 179.01 180.24 1twh h GLU 697 N 0.07 0.00 -0.07 1.92 4.81 -1.85 -2.48 114.58 116.98 1twh h GLU 697 Ca -0.32 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.93 1twh h GLU 697 Cb 2.04 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.41 1twh h GLU 697 CO 0.13 0.18 0.13 1.49 -0.73 0.00 0.00 179.01 180.22 1twh h GLU 698 N 0.00 0.00 0.00 1.92 4.81 -0.97 0.10 114.58 120.44 1twh h GLU 698 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1twh h GLU 698 Cb 0.81 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1twh h GLU 698 CO 0.02 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 178.69 1twh n GLU 699 N -3.46 0.17 -0.22 1.92 -0.58 -0.93 -2.60 120.64 114.95 1twh n GLU 699 Ca -0.01 0.01 0.07 0.00 -0.42 0.00 0.00 57.16 56.81 1twh n GLU 699 Cb 0.22 -1.50 0.19 0.00 -0.57 0.00 0.00 31.44 29.78 1twh n GLU 699 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1twh n SER 700 N -1.41 3.15 -4.95 1.62 3.41 0.02 -5.02 113.62 110.44 1twh n SER 700 Ca 0.10 -1.98 -0.23 0.00 -0.26 0.00 0.00 58.87 56.49 1twh n SER 700 Cb 0.29 -0.28 0.01 0.00 -0.26 0.00 0.00 64.21 63.97 1twh n SER 700 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1twh s ILE 701 N -1.01 2.00 -0.06 -1.33 -4.36 -1.07 -5.06 121.20 110.32 1twh s ILE 701 Ca 0.29 -1.29 0.01 0.00 -0.26 0.00 0.00 60.65 59.40 1twh s ILE 701 Cb 0.15 -2.30 0.02 0.00 1.25 0.00 0.00 42.46 41.59 1twh s ILE 701 CO 0.20 0.00 -0.07 -0.22 0.24 0.00 0.00 174.94 175.09 1twh s LEU 702 N -4.39 1.36 0.02 0.37 2.96 -1.26 -5.01 118.68 112.73 1twh s LEU 702 Ca 0.46 -0.19 0.09 0.00 -0.22 0.00 0.00 54.13 54.27 1twh s LEU 702 Cb -0.04 -0.59 -0.03 0.00 0.50 0.00 0.00 46.19 46.04 1twh s LEU 702 CO 0.28 -0.04 -0.25 -0.63 -1.32 0.00 0.00 176.35 174.39 1twh s ILE 703 N 0.97 2.21 0.26 6.68 1.01 -1.26 -2.05 121.20 129.02 1twh s ILE 703 Ca -0.10 -1.28 -0.20 0.00 0.00 0.00 0.00 60.65 59.08 1twh s ILE 703 Cb -0.14 -1.84 -0.09 0.00 0.01 0.00 0.00 42.46 40.40 1twh s ILE 703 CO 0.00 0.43 0.77 0.00 0.00 0.00 0.00 174.94 176.14 1twh s ALA 704 N -0.76 3.36 -0.10 9.38 0.00 0.33 -4.93 121.76 129.04 1twh s ALA 704 Ca 0.12 0.21 0.15 0.00 0.00 0.00 0.00 51.96 52.44 1twh s ALA 704 Cb -0.10 -2.88 -0.14 0.00 0.00 0.00 0.00 23.12 20.01 1twh s ALA 704 CO 0.01 0.30 0.88 1.98 0.00 0.00 0.00 175.76 178.94 1twh h MET 705 N 3.18 0.00 -3.25 0.00 4.05 -1.90 -1.40 114.93 115.61 1twh h MET 705 Ca -0.48 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 58.80 1twh h MET 705 Cb 1.19 0.00 -0.22 0.00 -0.80 0.00 0.00 31.60 31.77 1twh h MET 705 CO 0.65 0.38 -0.42 -0.65 0.23 0.00 0.00 176.91 177.11 1twh s GLN 706 N -2.86 0.45 0.40 0.39 1.11 -1.26 -4.53 119.66 113.36 1twh s GLN 706 Ca -0.02 -0.06 0.12 0.00 0.01 0.00 0.00 55.36 55.40 1twh s GLN 706 Cb 0.08 0.20 0.93 0.00 -1.01 0.00 0.00 33.01 33.22 1twh s GLN 706 CO 0.81 -0.10 1.93 -1.35 0.01 0.00 0.00 175.29 176.59 1twh h PRO 707 N 4.75 0.53 -0.70 2.91 0.11 -1.89 -0.13 132.00 137.57 1twh h PRO 707 Ca -0.29 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1twh h PRO 707 Cb 1.19 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1twh h PRO 707 CO 0.38 0.35 0.00 0.39 -0.21 0.00 0.00 178.00 178.91 1twh n GLU 708 N -4.49 0.71 0.00 1.05 4.71 -1.26 0.10 120.64 121.46 1twh n GLU 708 Ca 0.13 0.00 0.12 0.00 -0.01 0.00 0.00 57.16 57.40 1twh n GLU 708 Cb 0.42 -1.35 0.07 0.00 -1.01 0.00 0.00 31.44 29.57 1twh n GLU 708 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1twh n ASP 709 N 0.13 2.70 -0.09 1.62 8.00 -0.06 -4.26 116.55 124.58 1twh n ASP 709 Ca 0.00 -1.85 -0.18 0.00 0.71 0.00 0.00 54.79 53.48 1twh n ASP 709 Cb 0.17 0.15 -0.11 0.00 -0.02 0.00 0.00 41.12 41.31 1twh n ASP 709 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1twh h LEU 710 N 4.00 0.00 -7.85 0.64 -0.00 -0.51 -3.46 115.31 108.13 1twh h LEU 710 Ca 0.00 -0.62 -0.55 0.00 -0.00 0.00 0.00 57.88 56.71 1twh h LEU 710 Cb 0.92 0.00 0.13 0.00 -0.00 0.00 0.00 40.66 41.71 1twh h LEU 710 CO 0.00 1.26 -0.76 -0.62 -0.00 0.00 0.00 178.44 178.32 1twh n GLU 711 N -4.51 0.00 -3.36 1.13 1.02 -1.26 -4.92 120.64 108.74 1twh n GLU 711 Ca -0.22 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.55 1twh n GLU 711 Cb 0.57 -0.87 -0.04 0.00 -0.02 0.00 0.00 31.44 31.08 1twh n GLU 711 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1twh n PRO 712 N 1.11 3.30 -3.51 3.49 -0.05 -1.26 -5.03 135.00 133.05 1twh n PRO 712 Ca 0.11 -4.55 -0.19 0.00 -0.05 0.00 0.00 63.50 58.82 1twh n PRO 712 Cb 0.32 -2.42 0.08 0.00 -0.05 0.00 0.00 33.50 31.43 1twh n PRO 712 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 1twh n ASP 722 N 1.68 -2.61 -4.82 3.54 -0.08 -1.26 -5.20 116.55 107.81 1twh n ASP 722 Ca 0.25 -0.64 -0.36 0.00 -1.51 0.00 0.00 54.79 52.53 1twh n ASP 722 Cb 0.37 -4.92 -0.06 0.00 2.34 0.00 0.00 41.12 38.84 1twh n ASP 722 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1twh s VAL 723 N -3.40 4.60 -0.88 5.18 1.01 -1.26 -4.97 120.40 120.68 1twh s VAL 723 Ca 0.10 1.24 -0.26 0.00 0.00 0.00 0.00 61.98 63.07 1twh s VAL 723 Cb -0.05 -3.85 -0.20 0.00 0.00 0.00 0.00 36.38 32.28 1twh s VAL 723 CO 0.74 0.23 2.34 -0.67 0.00 0.00 0.00 175.10 177.74 1twh n ASP 724 N 0.78 0.16 0.14 3.32 -0.08 -1.26 -4.87 116.55 114.74 1twh n ASP 724 Ca -0.03 0.12 0.08 0.00 -1.51 0.00 0.00 54.79 53.45 1twh n ASP 724 Cb 0.51 -0.79 0.44 0.00 2.34 0.00 0.00 41.12 43.62 1twh n ASP 724 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1twh n PRO 725 N 7.29 0.11 -0.27 -0.67 -0.04 -1.26 0.21 135.00 140.36 1twh n PRO 725 Ca 0.58 0.59 0.12 0.00 -0.04 0.00 0.00 63.50 64.75 1twh n PRO 725 Cb 0.03 -1.93 0.26 0.00 -0.04 0.00 0.00 33.50 31.82 1twh n PRO 725 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1twh n ALA 726 N -1.67 2.39 -2.47 0.55 0.00 -1.26 -4.84 120.51 113.21 1twh n ALA 726 Ca -0.01 -1.14 -0.27 0.00 0.00 0.00 0.00 53.44 52.02 1twh n ALA 726 Cb 0.11 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 18.67 1twh n ALA 726 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1twh s LYS 727 N -1.24 3.60 0.77 0.00 1.02 0.13 -4.86 119.74 119.16 1twh s LYS 727 Ca 0.43 0.01 -0.13 0.00 0.02 0.00 0.00 55.97 56.29 1twh s LYS 727 Cb 0.24 -2.57 0.06 0.00 -0.52 0.00 0.00 37.83 35.04 1twh s LYS 727 CO 0.32 0.09 1.17 -0.98 -0.92 0.00 0.00 175.35 175.03 1twh s ARG 728 N -3.99 1.97 -0.11 1.68 1.70 -1.26 -5.00 118.95 113.94 1twh s ARG 728 Ca 0.44 1.62 -0.29 0.00 -0.47 0.00 0.00 55.73 57.04 1twh s ARG 728 Cb -0.10 -1.83 -0.01 0.00 -0.57 0.00 0.00 34.95 32.44 1twh s ARG 728 CO 0.34 -1.94 0.97 0.42 -1.08 0.00 0.00 175.30 174.02 1twh s ILE 729 N -2.25 4.81 0.05 4.99 -1.09 -1.26 -5.05 121.20 121.40 1twh s ILE 729 Ca 0.71 1.97 0.05 0.00 -2.23 0.00 0.00 60.65 61.15 1twh s ILE 729 Cb -0.26 -4.28 -0.04 0.00 -1.58 0.00 0.00 42.46 36.30 1twh s ILE 729 CO 0.49 0.02 -0.10 -0.13 -1.23 0.00 0.00 174.94 173.99 1twh s ARG 730 N 1.93 2.33 -0.19 2.79 0.52 -1.26 -5.10 118.95 119.97 1twh s ARG 730 Ca 0.47 -0.87 -0.00 0.00 -0.52 0.00 0.00 55.73 54.81 1twh s ARG 730 Cb -0.18 -2.38 0.01 0.00 0.52 0.00 0.00 34.95 32.92 1twh s ARG 730 CO 0.18 0.56 -0.16 0.08 0.02 0.00 0.00 175.30 175.97 1twh s VAL 731 N -1.06 2.37 0.89 3.52 1.01 -1.26 -5.08 120.40 120.79 1twh s VAL 731 Ca 0.18 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 61.19 1twh s VAL 731 Cb -0.11 -2.03 0.07 0.00 0.00 0.00 0.00 36.38 34.31 1twh s VAL 731 CO 0.09 0.50 0.76 -1.54 0.00 0.00 0.00 175.10 174.91 1twh n SER 732 N 4.66 -0.80 0.00 3.32 3.41 -1.26 -4.94 113.62 118.00 1twh n SER 732 Ca -0.20 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1twh n SER 732 Cb 0.50 -1.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.12 1twh n SER 732 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1twh n HIS 733 N -3.60 0.00 -0.70 7.33 1.44 -1.26 -4.88 115.22 113.55 1twh n HIS 733 Ca 0.10 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.62 1twh n HIS 733 Cb 0.52 0.00 0.08 0.00 0.12 0.00 0.00 29.99 30.72 1twh n HIS 733 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1twh n HIS 734 N 0.00 2.00 -3.62 -1.40 8.25 -1.26 -5.00 115.22 114.20 1twh n HIS 734 Ca 0.00 -1.79 -0.27 0.00 -0.26 0.00 0.00 57.72 55.39 1twh n HIS 734 Cb 0.00 -0.89 -0.16 0.00 1.12 0.00 0.00 29.99 30.06 1twh n HIS 734 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1twh s ALA 735 N -2.25 0.63 -2.13 -1.41 0.00 -1.26 -5.03 121.76 110.31 1twh s ALA 735 Ca 0.39 -0.65 0.22 0.00 0.00 0.00 0.00 51.96 51.91 1twh s ALA 735 Cb 0.31 -1.18 0.50 0.00 0.00 0.00 0.00 23.12 22.75 1twh s ALA 735 CO 0.03 -1.33 1.43 0.25 0.00 0.00 0.00 175.76 176.15 1twh n THR 736 N 5.21 0.73 -0.81 0.00 -2.24 -1.26 -4.75 114.28 111.17 1twh n THR 736 Ca -0.07 -0.86 0.08 0.00 -2.27 0.00 0.00 64.05 60.92 1twh n THR 736 Cb 0.46 0.76 0.15 0.00 -2.10 0.00 0.00 70.33 69.61 1twh n THR 736 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1twh n THR 737 N 1.48 1.78 -1.64 4.28 -2.24 -1.26 -5.00 114.28 111.68 1twh n THR 737 Ca 0.21 -1.86 -0.38 0.00 -2.27 0.00 0.00 64.05 59.74 1twh n THR 737 Cb 0.59 -0.07 0.05 0.00 -2.10 0.00 0.00 70.33 68.81 1twh n THR 737 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1twh n PHE 738 N -0.89 1.07 0.18 4.78 0.99 -1.26 -4.76 117.46 117.57 1twh n PHE 738 Ca 0.14 0.44 0.02 0.00 -0.00 0.00 0.00 57.45 58.06 1twh n PHE 738 Cb 0.63 -2.17 -0.03 0.00 -1.00 0.00 0.00 39.48 36.90 1twh n PHE 738 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1twh n THR 739 N -1.63 0.00 -3.97 4.37 -2.24 -0.87 -4.78 114.28 105.16 1twh n THR 739 Ca 0.13 -0.32 -0.09 0.00 -2.27 0.00 0.00 64.05 61.50 1twh n THR 739 Cb 0.47 0.85 -0.04 0.00 -2.10 0.00 0.00 70.33 69.51 1twh n THR 739 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1twh s HIS 740 N -1.69 0.32 0.03 4.78 3.76 -0.99 -2.80 115.29 118.70 1twh s HIS 740 Ca 0.01 -0.71 0.01 0.00 -0.15 0.00 0.00 55.06 54.22 1twh s HIS 740 Cb 0.04 0.30 -0.02 0.00 1.11 0.00 0.00 32.58 34.01 1twh s HIS 740 CO 0.21 -1.10 -0.05 0.00 -0.85 0.00 0.00 174.74 172.95 1twh s GLU 742 N -1.28 2.68 -0.08 0.00 0.41 -0.53 -1.13 118.70 118.76 1twh s GLU 742 Ca -0.10 2.08 -0.03 0.00 -0.41 0.00 0.00 54.97 56.51 1twh s GLU 742 Cb -0.08 -1.91 -0.02 0.00 -1.78 0.00 0.00 34.13 30.33 1twh s GLU 742 CO -0.00 -1.51 0.12 0.82 -0.49 0.00 0.00 175.26 174.21 1twh h ILE 743 N 0.71 0.00 -2.47 -1.63 1.08 -1.91 -3.44 117.51 109.85 1twh h ILE 743 Ca -0.51 -0.89 -0.08 0.00 -0.39 0.00 0.00 64.86 62.99 1twh h ILE 743 Cb 1.33 0.00 -0.24 0.00 -3.07 0.00 0.00 36.82 34.84 1twh h ILE 743 CO 0.54 0.00 -0.15 -2.28 -0.69 0.00 0.00 178.15 175.57 1twh s HIS 744 N -1.88 -0.65 0.18 1.37 2.46 -1.26 -4.77 115.29 110.73 1twh s HIS 744 Ca -0.02 1.46 0.34 0.00 0.47 0.00 0.00 55.06 57.31 1twh s HIS 744 Cb 0.00 0.28 1.71 0.00 -0.13 0.00 0.00 32.58 34.44 1twh s HIS 744 CO 0.05 -0.33 2.02 -1.35 -2.47 0.00 0.00 174.74 172.65 1twh h PRO 745 N 6.14 0.00 0.00 2.88 0.11 -1.88 0.40 132.00 139.65 1twh h PRO 745 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1twh h PRO 745 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1twh h PRO 745 CO 0.21 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.87 1twh n SER 746 N -2.74 0.00 -0.13 -2.05 3.41 -1.26 -2.27 113.62 108.58 1twh n SER 746 Ca -0.01 -0.23 0.14 0.00 -0.26 0.00 0.00 58.87 58.51 1twh n SER 746 Cb 0.12 -0.18 0.65 0.00 -0.26 0.00 0.00 64.21 64.54 1twh n SER 746 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1twh n MET 747 N -1.18 0.82 0.16 4.33 2.81 0.14 -3.32 117.12 120.88 1twh n MET 747 Ca 0.11 -0.27 0.12 0.00 -1.81 0.00 0.00 57.70 55.85 1twh n MET 747 Cb 0.12 -1.49 0.58 0.00 -0.71 0.00 0.00 33.22 31.72 1twh n MET 747 CO 0.00 0.00 0.00 -0.84 1.51 0.00 0.00 175.97 176.64 1twh h ILE 748 N 0.66 0.00 -2.95 2.02 3.07 -1.66 -3.31 117.51 115.34 1twh h ILE 748 Ca 0.00 -0.11 -0.47 0.00 1.55 0.00 0.00 64.86 65.82 1twh h ILE 748 Cb 0.33 0.74 0.02 0.00 -0.27 0.00 0.00 36.82 37.63 1twh h ILE 748 CO 0.00 0.00 -0.10 -0.76 -1.05 0.00 0.00 178.15 176.24 1twh s LEU 749 N -4.64 3.81 0.00 0.16 1.43 -1.21 -4.19 118.68 114.04 1twh s LEU 749 Ca 0.00 0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.60 1twh s LEU 749 Cb 0.08 -3.38 0.00 0.00 0.03 0.00 0.00 46.19 42.92 1twh s LEU 749 CO 0.30 -0.49 0.00 0.61 0.23 0.00 0.00 176.35 177.00 1twh n GLY 750 N -1.98 0.20 0.33 -3.19 0.00 -1.26 -1.80 105.19 97.49 1twh n GLY 750 Ca -0.02 -1.86 0.03 0.00 0.00 0.00 0.00 46.02 44.17 1twh n GLY 750 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1twh h VAL 751 N -0.51 1.00 -0.00 1.61 2.07 -1.93 -2.80 116.25 115.68 1twh h VAL 751 Ca 0.00 -0.33 -0.25 0.00 0.82 0.00 0.00 66.70 66.94 1twh h VAL 751 Cb 0.00 -0.06 0.01 0.00 -1.52 0.00 0.00 31.29 29.73 1twh h VAL 751 CO 0.00 0.18 -0.99 0.00 0.02 0.00 0.00 177.57 176.77 1twh h ALA 752 N 1.45 0.24 0.00 1.67 0.00 -1.92 -2.92 119.26 117.77 1twh h ALA 752 Ca 0.41 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1twh h ALA 752 Cb 0.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1twh h ALA 752 CO -0.21 0.74 -0.25 0.00 0.00 0.00 0.00 179.25 179.53 1twh n ALA 753 N -2.60 2.85 1.26 0.00 0.00 -1.22 -3.00 120.51 117.80 1twh n ALA 753 Ca -0.09 -0.20 0.11 0.00 0.00 0.00 0.00 53.44 53.26 1twh n ALA 753 Cb 0.86 -1.31 0.63 0.00 0.00 0.00 0.00 19.45 19.63 1twh n ALA 753 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1twh n SER 754 N -1.63 0.00 -0.05 0.00 7.64 -1.06 -2.08 113.62 116.44 1twh n SER 754 Ca 0.06 -0.42 0.08 0.00 1.01 0.00 0.00 58.87 59.60 1twh n SER 754 Cb 0.36 -0.12 -0.09 0.00 -1.01 0.00 0.00 64.21 63.35 1twh n SER 754 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1twh n ILE 755 N -1.12 0.00 -2.65 0.44 2.08 -1.16 -4.50 119.36 112.45 1twh n ILE 755 Ca 0.14 -0.12 -0.42 0.00 0.56 0.00 0.00 62.75 62.92 1twh n ILE 755 Cb 0.12 1.03 -0.03 0.00 -0.75 0.00 0.00 39.64 40.01 1twh n ILE 755 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1twh s ILE 756 N -2.58 4.69 0.26 1.39 1.01 -0.88 -4.91 121.20 120.17 1twh s ILE 756 Ca 0.08 1.93 -0.30 0.00 0.00 0.00 0.00 60.65 62.36 1twh s ILE 756 Cb 0.13 -4.24 -0.09 0.00 0.01 0.00 0.00 42.46 38.27 1twh s ILE 756 CO 0.68 0.13 1.06 -2.16 0.00 0.00 0.00 174.94 174.65 1twh s PRO 757 N 1.19 4.69 -1.49 2.79 0.04 -1.26 -4.23 135.00 136.72 1twh s PRO 757 Ca 0.53 1.73 -0.12 0.00 0.04 0.00 0.00 61.00 63.18 1twh s PRO 757 Cb -0.22 -3.22 0.07 0.00 0.04 0.00 0.00 34.50 31.17 1twh s PRO 757 CO 0.27 0.27 0.94 1.19 0.04 0.00 0.00 177.00 179.71 1twh n PHE 758 N 1.36 -2.32 0.30 0.56 0.99 0.13 -4.83 117.46 113.66 1twh n PHE 758 Ca -0.01 0.85 0.17 0.00 -0.00 0.00 0.00 57.45 58.47 1twh n PHE 758 Cb 0.45 -4.08 0.82 0.00 -1.00 0.00 0.00 39.48 35.68 1twh n PHE 758 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 1twh h PRO 759 N -2.03 0.00 0.00 -1.08 0.13 -1.84 0.49 132.00 127.67 1twh h PRO 759 Ca -0.56 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1twh h PRO 759 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1twh h PRO 759 CO 0.64 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.01 1twh n ASP 760 N -2.84 0.00 -0.87 1.44 5.75 -1.26 -1.71 116.55 117.06 1twh n ASP 760 Ca -0.01 -0.68 0.07 0.00 -0.01 0.00 0.00 54.79 54.17 1twh n ASP 760 Cb 0.18 -0.01 0.22 0.00 -1.03 0.00 0.00 41.12 40.49 1twh n ASP 760 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1twh n HIS 761 N -1.01 0.80 -5.19 2.11 8.25 0.17 -5.00 115.22 115.35 1twh n HIS 761 Ca 0.17 -0.67 -0.32 0.00 -0.26 0.00 0.00 57.72 56.64 1twh n HIS 761 Cb 0.08 -0.18 -0.15 0.00 1.12 0.00 0.00 29.99 30.86 1twh n HIS 761 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1twh s ASN 762 N -1.37 3.29 0.42 0.41 0.01 -0.69 -3.42 114.94 113.58 1twh s ASN 762 Ca 0.35 -0.42 -0.23 0.00 -0.71 0.00 0.00 52.86 51.84 1twh s ASN 762 Cb 0.24 -0.62 -0.12 0.00 0.41 0.00 0.00 41.25 41.16 1twh s ASN 762 CO 0.14 0.30 0.76 1.67 -1.51 0.00 0.00 177.10 178.46 1twh n GLN 763 N 2.58 0.89 -0.11 -0.60 7.27 -1.25 -4.89 117.38 121.28 1twh n GLN 763 Ca -0.17 0.32 -0.10 0.00 0.07 0.00 0.00 57.00 57.13 1twh n GLN 763 Cb 0.52 -1.74 -0.02 0.00 2.41 0.00 0.00 30.24 31.40 1twh n GLN 763 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1twh h SER 764 N 1.10 0.46 0.20 1.69 0.87 -1.96 -2.81 113.55 113.10 1twh h SER 764 Ca -0.42 -0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 59.94 1twh h SER 764 Cb 1.37 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1twh h SER 764 CO 0.54 0.52 -0.08 1.55 -0.53 0.00 0.00 176.83 178.83 1twh h PRO 765 N 0.37 0.00 -0.18 2.24 0.13 -1.99 -2.61 132.00 129.96 1twh h PRO 765 Ca 0.11 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.03 1twh h PRO 765 Cb 0.22 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.35 1twh h PRO 765 CO -0.01 0.08 -0.71 0.00 -0.23 0.00 0.00 178.00 177.14 1twh h ARG 766 N 0.00 0.77 -0.43 0.86 2.47 -1.83 -1.20 114.38 115.02 1twh h ARG 766 Ca -0.00 -0.58 -0.03 0.00 -1.26 0.00 0.00 59.98 58.10 1twh h ARG 766 Cb 0.21 0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.61 1twh h ARG 766 CO 0.01 1.20 0.14 -0.91 0.56 0.00 0.00 179.97 180.97 1twh h ASN 767 N 0.54 0.57 -0.52 7.04 2.35 -1.56 -0.56 115.58 123.45 1twh h ASN 767 Ca -0.03 -0.07 0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1twh h ASN 767 Cb 1.32 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 39.52 1twh h ASN 767 CO 0.15 0.55 0.34 0.74 -1.65 0.00 0.00 177.43 177.56 1twh h THR 768 N 0.62 1.08 0.05 2.81 2.02 -1.04 -2.60 112.91 115.84 1twh h THR 768 Ca 0.15 -0.21 -0.27 0.00 0.77 0.00 0.00 66.41 66.85 1twh h THR 768 Cb 0.19 0.41 0.02 0.00 -1.74 0.00 0.00 68.15 67.02 1twh h THR 768 CO -0.01 0.11 -1.10 1.88 0.37 0.00 0.00 175.52 176.77 1twh h TYR 769 N 0.61 0.93 -0.24 3.16 0.99 -0.47 -1.44 116.97 120.52 1twh h TYR 769 Ca 0.20 -0.54 0.07 0.00 2.00 0.00 0.00 58.73 60.46 1twh h TYR 769 Cb 0.06 -0.09 -0.01 0.00 1.00 0.00 0.00 36.73 37.68 1twh h TYR 769 CO -0.00 1.38 0.21 0.37 -0.00 0.00 0.00 178.16 180.12 1twh h GLN 770 N 0.31 0.00 0.01 4.88 5.75 -0.77 -1.46 115.11 123.83 1twh h GLN 770 Ca -0.14 0.00 -0.21 0.00 -0.15 0.00 0.00 58.65 58.15 1twh h GLN 770 Cb 1.76 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.30 1twh h GLN 770 CO 0.21 0.00 -0.92 0.77 -2.65 0.00 0.00 178.83 176.24 1twh h SER 771 N 0.00 0.37 0.34 -0.69 0.02 -0.90 -1.85 113.55 110.84 1twh h SER 771 Ca 0.11 -0.30 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 1twh h SER 771 Cb 0.53 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1twh h SER 771 CO -0.00 1.11 -0.16 0.00 -1.14 0.00 0.00 176.83 176.64 1twh h ALA 772 N 0.86 -0.46 -0.62 3.77 0.00 -1.25 -3.38 119.26 118.18 1twh h ALA 772 Ca -0.06 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.73 1twh h ALA 772 Cb 1.56 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.49 1twh h ALA 772 CO 0.15 -0.63 0.41 0.52 0.00 0.00 0.00 179.25 179.70 1twh h MET 773 N -0.70 0.63 -0.26 0.00 2.07 -0.68 2.44 114.93 118.43 1twh h MET 773 Ca -0.05 -0.04 0.08 0.00 -2.07 0.00 0.00 59.70 57.62 1twh h MET 773 Cb 0.49 -0.14 -0.01 0.00 -1.87 0.00 0.00 31.60 30.06 1twh h MET 773 CO 0.08 0.42 0.42 0.78 1.07 0.00 0.00 176.91 179.68 1twh h GLY 774 N 0.65 0.00 1.69 8.32 0.00 -1.53 0.60 103.07 112.79 1twh h GLY 774 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1twh h GLY 774 CO -0.08 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.74 1twh n LYS 775 N -3.40 0.29 -0.40 4.80 5.02 0.82 -2.81 118.16 122.49 1twh n LYS 775 Ca 0.04 0.02 0.08 0.00 -2.02 0.00 0.00 58.31 56.44 1twh n LYS 775 Cb 0.55 -1.50 0.24 0.00 -0.02 0.00 0.00 35.03 34.30 1twh n LYS 775 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1twh n GLN 776 N -1.34 2.84 -2.78 1.97 6.02 0.21 -4.77 117.38 119.54 1twh n GLN 776 Ca 0.12 -2.76 -0.21 0.00 -0.01 0.00 0.00 57.00 54.14 1twh n GLN 776 Cb 0.25 -1.78 0.05 0.00 1.02 0.00 0.00 30.24 29.79 1twh n GLN 776 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1twh s ALA 777 N -2.67 4.14 -0.05 -1.58 0.00 -1.12 -1.19 121.76 119.28 1twh s ALA 777 Ca 0.40 -1.66 0.05 0.00 0.00 0.00 0.00 51.96 50.75 1twh s ALA 777 Cb 0.32 -1.85 -0.02 0.00 0.00 0.00 0.00 23.12 21.57 1twh s ALA 777 CO 0.09 -0.86 -0.19 -1.64 0.00 0.00 0.00 175.76 173.16 1twh s MET 778 N -4.76 2.52 0.00 0.00 -1.94 -0.75 -4.59 119.30 109.79 1twh s MET 778 Ca 0.60 -0.80 0.00 0.00 -1.71 0.00 0.00 55.69 53.78 1twh s MET 778 Cb -0.08 -2.28 0.00 0.00 2.01 0.00 0.00 34.83 34.48 1twh s MET 778 CO 0.39 0.51 0.00 0.41 -0.01 0.00 0.00 175.02 176.31 1twh n GLY 779 N 2.63 2.63 2.60 -0.03 0.00 -1.26 -4.18 105.19 107.57 1twh n GLY 779 Ca -0.17 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1twh n GLY 779 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1twh s VAL 780 N 2.24 0.66 0.30 1.61 1.01 -1.23 -1.92 120.40 123.08 1twh s VAL 780 Ca 0.00 -1.84 0.27 0.00 0.00 0.00 0.00 61.98 60.41 1twh s VAL 780 Cb 0.00 -1.49 0.28 0.00 0.00 0.00 0.00 36.38 35.18 1twh s VAL 780 CO 0.00 -0.88 1.99 2.19 0.00 0.00 0.00 175.10 178.40 1twh h PHE 781 N 7.25 0.00 -3.21 5.22 -5.15 -1.83 -3.40 116.94 115.83 1twh h PHE 781 Ca -0.02 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.71 1twh h PHE 781 Cb 0.97 0.00 -0.13 0.00 0.22 0.00 0.00 35.95 37.01 1twh h PHE 781 CO 0.42 0.15 0.04 -0.51 -2.00 0.00 0.00 178.31 176.42 1twh s LEU 782 N -6.98 -0.00 0.00 2.10 1.43 -1.26 -4.31 118.68 109.66 1twh s LEU 782 Ca -0.01 -0.17 0.28 0.00 -1.03 0.00 0.00 54.13 53.20 1twh s LEU 782 Cb 0.12 2.15 1.31 0.00 0.03 0.00 0.00 46.19 49.80 1twh s LEU 782 CO 0.59 -0.89 1.93 0.35 0.23 0.00 0.00 176.35 178.57 1twh n THR 783 N -0.25 0.09 -1.25 5.49 -2.24 -1.26 -3.44 114.28 111.42 1twh n THR 783 Ca -0.17 0.02 -0.31 0.00 -2.27 0.00 0.00 64.05 61.32 1twh n THR 783 Cb 0.64 -0.55 0.08 0.00 -2.10 0.00 0.00 70.33 68.40 1twh n THR 783 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1twh n ASN 784 N -1.39 7.15 0.08 3.42 6.94 -1.26 -4.69 115.26 125.51 1twh n ASN 784 Ca 0.10 -3.67 -0.08 0.00 -0.02 0.00 0.00 54.58 50.91 1twh n ASN 784 Cb 0.27 -0.97 -0.07 0.00 -2.36 0.00 0.00 39.78 36.65 1twh n ASN 784 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 1twh h TYR 785 N 1.82 0.15 0.00 -2.53 -0.00 -1.95 -3.07 116.97 111.39 1twh h TYR 785 Ca 0.57 -0.10 0.00 0.00 0.00 0.00 0.00 58.73 59.20 1twh h TYR 785 Cb 1.02 -0.01 0.00 0.00 0.00 0.00 0.00 36.73 37.74 1twh h TYR 785 CO 1.36 1.00 0.00 -1.71 -0.00 0.00 0.00 178.16 178.81 1twh n ASN 786 N -3.50 0.00 -0.29 0.10 2.85 -1.26 -1.55 115.26 111.61 1twh n ASN 786 Ca -0.02 -0.27 0.04 0.00 -0.11 0.00 0.00 54.58 54.21 1twh n ASN 786 Cb 0.89 -0.16 0.03 0.00 1.24 0.00 0.00 39.78 41.77 1twh n ASN 786 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1twh n VAL 787 N -1.16 0.00 -3.17 3.44 0.31 -1.16 -4.98 118.33 111.60 1twh n VAL 787 Ca 0.12 -0.49 -0.20 0.00 -0.01 0.00 0.00 64.34 63.76 1twh n VAL 787 Cb 0.12 1.15 0.04 0.00 -0.91 0.00 0.00 33.84 34.24 1twh n VAL 787 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1twh s ARG 788 N -0.72 2.43 -0.33 5.55 0.52 -0.59 -5.07 118.95 120.74 1twh s ARG 788 Ca 0.09 -1.60 -0.01 0.00 -0.52 0.00 0.00 55.73 53.68 1twh s ARG 788 Cb 0.06 -2.58 0.12 0.00 0.52 0.00 0.00 34.95 33.07 1twh s ARG 788 CO 0.11 -0.66 0.17 -1.64 0.02 0.00 0.00 175.30 173.30 1twh s MET 789 N -4.51 0.49 0.39 3.54 -1.94 -1.26 -5.02 119.30 110.98 1twh s MET 789 Ca 0.56 -1.05 0.08 0.00 -1.71 0.00 0.00 55.69 53.57 1twh s MET 789 Cb -0.06 -1.41 -0.07 0.00 2.01 0.00 0.00 34.83 35.30 1twh s MET 789 CO 0.35 -1.11 0.05 0.16 -0.01 0.00 0.00 175.02 174.46 1twh s ASP 790 N 1.47 4.08 0.18 3.03 3.84 -1.26 -4.95 116.67 123.06 1twh s ASP 790 Ca 0.14 -1.19 -0.14 0.00 -0.00 0.00 0.00 52.55 51.36 1twh s ASP 790 Cb -0.20 -0.44 0.15 0.00 -1.38 0.00 0.00 42.92 41.05 1twh s ASP 790 CO -0.17 -0.40 1.73 0.74 -0.00 0.00 0.00 175.17 177.07 1twh h THR 791 N 1.71 0.80 -4.01 2.11 2.02 -1.91 -3.03 112.91 110.60 1twh h THR 791 Ca -0.43 -0.09 -0.19 0.00 0.77 0.00 0.00 66.41 66.46 1twh h THR 791 Cb 1.25 0.50 -0.20 0.00 -1.74 0.00 0.00 68.15 67.96 1twh h THR 791 CO 0.74 0.05 -0.71 -0.04 0.37 0.00 0.00 175.52 175.93 1twh s MET 792 N -6.14 0.45 0.01 6.66 -1.94 -1.26 -0.06 119.30 117.02 1twh s MET 792 Ca -0.13 -0.79 -0.28 0.00 -1.71 0.00 0.00 55.69 52.77 1twh s MET 792 Cb 0.14 0.00 0.07 0.00 2.01 0.00 0.00 34.83 37.06 1twh s MET 792 CO 0.72 -0.03 0.66 0.00 -0.01 0.00 0.00 175.02 176.36 1twh s ALA 793 N -1.98 -1.72 -0.03 3.03 0.00 -0.04 -4.95 121.76 116.08 1twh s ALA 793 Ca -0.09 1.07 0.03 0.00 0.00 0.00 0.00 51.96 52.96 1twh s ALA 793 Cb -0.06 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.33 1twh s ALA 793 CO -0.02 -0.50 -0.10 -0.80 0.00 0.00 0.00 175.76 174.34 1twh s ASN 794 N -1.68 1.35 0.02 0.00 0.01 -1.26 -1.86 114.94 111.52 1twh s ASN 794 Ca -0.07 -0.21 0.03 0.00 -0.71 0.00 0.00 52.86 51.89 1twh s ASN 794 Cb -0.00 -0.33 -0.01 0.00 0.41 0.00 0.00 41.25 41.31 1twh s ASN 794 CO 0.03 0.09 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.99 1twh s ILE 795 N 0.10 0.62 0.21 0.60 -1.09 -0.48 -4.34 121.20 116.82 1twh s ILE 795 Ca -0.02 -0.67 -0.10 0.00 -2.23 0.00 0.00 60.65 57.64 1twh s ILE 795 Cb -0.08 -0.59 -0.07 0.00 -1.58 0.00 0.00 42.46 40.14 1twh s ILE 795 CO 0.01 -0.06 0.53 -0.22 -1.23 0.00 0.00 174.94 173.97 1twh s LEU 796 N -0.80 4.20 -0.00 2.97 2.96 -0.81 0.50 118.68 127.71 1twh s LEU 796 Ca -0.02 0.92 -0.23 0.00 -0.22 0.00 0.00 54.13 54.58 1twh s LEU 796 Cb -0.06 -3.58 -0.18 0.00 0.50 0.00 0.00 46.19 42.87 1twh s LEU 796 CO 0.00 -0.03 1.23 1.88 -1.32 0.00 0.00 176.35 178.11 1twh h TYR 797 N 2.74 0.28 -2.06 5.38 -1.99 -1.74 -3.39 116.97 116.19 1twh h TYR 797 Ca -0.47 -0.10 -0.56 0.00 2.00 0.00 0.00 58.73 59.59 1twh h TYR 797 Cb 1.17 -0.05 -0.40 0.00 2.00 0.00 0.00 36.73 39.45 1twh h TYR 797 CO 0.62 0.75 -0.98 0.66 -0.00 0.00 0.00 178.16 179.21 1twh n TYR 798 N -4.60 0.83 -1.64 4.88 4.02 -1.26 -5.10 117.16 114.28 1twh n TYR 798 Ca -0.08 -3.75 -0.42 0.00 -0.01 0.00 0.00 57.90 53.64 1twh n TYR 798 Cb 0.38 -0.41 -0.00 0.00 -0.02 0.00 0.00 39.34 39.29 1twh n TYR 798 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1twh n PRO 799 N 1.05 1.63 -4.36 -0.72 -0.02 -1.26 -4.90 135.00 126.42 1twh n PRO 799 Ca 0.24 0.58 -0.19 0.00 -2.02 0.00 0.00 63.50 62.11 1twh n PRO 799 Cb 0.51 -2.10 -0.10 0.00 -0.02 0.00 0.00 33.50 31.79 1twh n PRO 799 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1twh s GLN 800 N -1.87 1.36 0.28 -0.52 -0.21 -0.74 -5.01 119.66 112.95 1twh s GLN 800 Ca 0.59 -1.60 -0.03 0.00 0.02 0.00 0.00 55.36 54.35 1twh s GLN 800 Cb -0.59 -1.19 -0.04 0.00 1.00 0.00 0.00 33.01 32.18 1twh s GLN 800 CO 0.59 0.20 0.51 -1.59 -2.12 0.00 0.00 175.29 172.89 1twh s LYS 801 N -3.60 3.57 0.06 2.91 -2.85 -1.26 -4.43 119.74 114.14 1twh s LYS 801 Ca 0.23 -0.16 -0.28 0.00 -1.00 0.00 0.00 55.97 54.76 1twh s LYS 801 Cb -0.01 -2.70 -0.05 0.00 -2.06 0.00 0.00 37.83 33.01 1twh s LYS 801 CO 0.08 0.24 0.89 -1.25 0.10 0.00 0.00 175.35 175.41 1twh s PRO 802 N -3.67 4.60 0.52 1.78 0.04 -1.26 -4.76 135.00 132.24 1twh s PRO 802 Ca 0.42 1.29 0.18 0.00 0.04 0.00 0.00 61.00 62.93 1twh s PRO 802 Cb -0.11 -3.39 1.29 0.00 0.04 0.00 0.00 34.50 32.34 1twh s PRO 802 CO 0.31 0.18 2.11 -0.07 0.04 0.00 0.00 177.00 179.58 1twh h LEU 803 N 5.87 0.01 -7.92 -3.56 3.38 -1.94 -3.37 115.31 107.78 1twh h LEU 803 Ca -0.43 -0.00 -0.67 0.00 0.09 0.00 0.00 57.88 56.87 1twh h LEU 803 Cb 1.21 -0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.60 1twh h LEU 803 CO 0.72 0.01 -0.75 -0.83 0.09 0.00 0.00 178.44 177.67 1twh s GLY 804 N -4.05 1.72 0.50 0.83 0.00 -1.26 -2.36 107.32 102.70 1twh s GLY 804 Ca -0.05 -1.83 0.05 0.00 0.00 0.00 0.00 44.72 42.88 1twh s GLY 804 CO 0.68 0.67 0.24 -0.51 0.00 0.00 0.00 173.10 174.18 1twh s THR 805 N 1.14 1.66 0.23 0.90 -4.23 -1.14 -4.79 115.64 109.41 1twh s THR 805 Ca -0.06 -1.68 0.07 0.00 -1.18 0.00 0.00 61.69 58.84 1twh s THR 805 Cb -0.20 -2.34 -0.05 0.00 1.34 0.00 0.00 72.50 71.25 1twh s THR 805 CO -0.04 0.00 -0.11 -0.89 -0.54 0.00 0.00 174.62 173.04 1twh s THR 806 N -2.76 1.65 0.06 3.99 2.01 -1.26 -1.35 115.64 117.98 1twh s THR 806 Ca 0.27 -2.17 0.20 0.00 0.31 0.00 0.00 61.69 60.30 1twh s THR 806 Cb 0.00 -2.18 0.15 0.00 0.01 0.00 0.00 72.50 70.49 1twh s THR 806 CO 0.16 -0.50 1.69 0.03 -0.69 0.00 0.00 174.62 175.31 1twh h ARG 807 N 2.48 0.00 0.00 4.92 2.47 -1.93 -3.13 114.38 119.19 1twh h ARG 807 Ca -0.39 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.33 1twh h ARG 807 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 1twh h ARG 807 CO 0.64 0.35 0.00 0.00 0.56 0.00 0.00 179.97 181.52 1twh n ALA 808 N -2.25 1.67 0.26 0.04 0.00 -1.26 -2.23 120.51 116.74 1twh n ALA 808 Ca 0.01 0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.67 1twh n ALA 808 Cb 0.54 -1.39 0.70 0.00 0.00 0.00 0.00 19.45 19.30 1twh n ALA 808 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1twh h MET 809 N 0.00 0.00 -0.33 0.00 2.86 -1.77 -0.43 114.93 115.26 1twh h MET 809 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1twh h MET 809 Cb 0.37 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1twh h MET 809 CO 0.00 0.00 0.15 1.49 1.06 0.00 0.00 176.91 179.61 1twh h GLU 810 N 0.00 0.49 0.00 1.72 4.81 -1.67 -1.84 114.58 118.09 1twh h GLU 810 Ca 0.00 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1twh h GLU 810 Cb 0.14 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1twh h GLU 810 CO 0.00 0.47 0.00 1.88 -0.73 0.00 0.00 179.01 180.63 1twh h TYR 811 N 0.39 0.00 -0.09 0.92 -1.99 -1.28 -2.87 116.97 112.05 1twh h TYR 811 Ca 0.11 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.84 1twh h TYR 811 Cb 0.15 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.88 1twh h TYR 811 CO -0.01 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.43 1twh n LEU 812 N -2.96 2.60 -1.59 3.88 4.77 -0.75 -4.94 117.00 118.02 1twh n LEU 812 Ca 0.03 -0.93 -0.19 0.00 -0.03 0.00 0.00 56.01 54.89 1twh n LEU 812 Cb 0.40 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.38 1twh n LEU 812 CO 0.30 0.46 -0.19 0.29 -1.33 0.00 0.00 177.39 176.92 1twh n LYS 813 N 1.01 -1.36 0.14 3.23 4.76 -0.85 -4.83 118.16 120.25 1twh n LYS 813 Ca 0.16 1.12 -0.00 0.00 -2.87 0.00 0.00 58.31 56.72 1twh n LYS 813 Cb 0.52 -5.48 0.18 0.00 -1.84 0.00 0.00 35.03 28.41 1twh n LYS 813 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1twh h PHE 814 N 0.00 0.00 0.00 2.13 3.57 -1.84 -1.38 116.94 119.42 1twh h PHE 814 Ca -0.40 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1twh h PHE 814 Cb 1.26 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.00 1twh h PHE 814 CO 0.53 0.59 0.00 0.54 -2.23 0.00 0.00 178.31 177.74 1twh n ARG 815 N -3.68 0.16 0.00 1.11 1.74 -1.26 -1.41 116.66 113.32 1twh n ARG 815 Ca -0.01 0.19 -0.11 0.00 -0.77 0.00 0.00 57.85 57.14 1twh n ARG 815 Cb 0.62 -1.71 -0.14 0.00 -1.02 0.00 0.00 32.46 30.22 1twh n ARG 815 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1twh h GLU 816 N 0.00 0.07 -2.02 5.56 3.07 -1.65 -3.42 114.58 116.19 1twh h GLU 816 Ca 0.00 -0.13 -0.55 0.00 -0.50 0.00 0.00 59.36 58.18 1twh h GLU 816 Cb 0.58 0.05 -0.40 0.00 -0.84 0.00 0.00 28.75 28.14 1twh h GLU 816 CO 0.00 0.75 -1.06 1.28 -1.40 0.00 0.00 179.01 178.58 1twh n LEU 817 N -3.20 0.72 -4.88 1.33 4.77 -0.93 -5.09 117.00 109.70 1twh n LEU 817 Ca -0.17 -4.84 -0.29 0.00 -0.03 0.00 0.00 56.01 50.68 1twh n LEU 817 Cb 1.04 0.50 0.15 0.00 -2.33 0.00 0.00 43.42 42.77 1twh n LEU 817 CO 0.46 2.11 0.81 -2.16 -1.33 0.00 0.00 177.39 177.27 1twh s PRO 818 N -1.55 1.09 -0.43 3.23 0.05 -0.50 -4.66 135.00 132.23 1twh s PRO 818 Ca 0.37 -0.10 0.08 0.00 0.05 0.00 0.00 61.00 61.40 1twh s PRO 818 Cb 0.20 -1.87 0.32 0.00 0.05 0.00 0.00 34.50 33.20 1twh s PRO 818 CO -0.10 -2.16 0.94 0.00 0.05 0.00 0.00 177.00 175.74 1twh n ALA 819 N -3.66 0.34 0.00 8.56 0.00 -1.26 -3.51 120.51 120.98 1twh n ALA 819 Ca 0.11 -2.26 0.00 0.00 0.00 0.00 0.00 53.44 51.30 1twh n ALA 819 Cb 0.60 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1twh n ALA 819 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1twh n GLY 820 N 0.44 1.28 3.03 0.00 0.00 -1.26 -4.53 105.19 104.15 1twh n GLY 820 Ca 0.14 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 1twh n GLY 820 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1twh s GLN 821 N -2.00 0.43 -0.43 1.61 -0.21 -0.80 -1.80 119.66 116.47 1twh s GLN 821 Ca 0.00 -0.74 -0.23 0.00 0.02 0.00 0.00 55.36 54.41 1twh s GLN 821 Cb 0.00 -0.03 0.02 0.00 1.00 0.00 0.00 33.01 34.00 1twh s GLN 821 CO 0.00 -0.02 0.78 -0.80 -2.12 0.00 0.00 175.29 173.13 1twh s ASN 822 N -1.69 6.44 0.08 5.90 0.01 -1.26 -1.99 114.94 122.43 1twh s ASN 822 Ca -0.11 -0.00 0.01 0.00 -0.71 0.00 0.00 52.86 52.05 1twh s ASN 822 Cb -0.08 -2.39 -0.04 0.00 0.41 0.00 0.00 41.25 39.16 1twh s ASN 822 CO -0.01 -0.87 0.21 0.00 -1.51 0.00 0.00 177.10 174.91 1twh s ALA 823 N 3.24 3.93 -0.08 0.60 0.00 -0.81 -4.84 121.76 123.80 1twh s ALA 823 Ca 0.30 -0.91 -0.28 0.00 0.00 0.00 0.00 51.96 51.07 1twh s ALA 823 Cb -0.12 -1.75 -0.02 0.00 0.00 0.00 0.00 23.12 21.22 1twh s ALA 823 CO 0.21 0.75 0.91 0.42 0.00 0.00 0.00 175.76 178.05 1twh s ILE 824 N -1.55 4.87 -0.04 0.00 -1.09 -1.26 -1.03 121.20 121.11 1twh s ILE 824 Ca 0.34 1.87 0.02 0.00 -2.23 0.00 0.00 60.65 60.65 1twh s ILE 824 Cb -0.12 -4.24 0.01 0.00 -1.58 0.00 0.00 42.46 36.53 1twh s ILE 824 CO 0.27 0.10 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.29 1twh s VAL 825 N 1.52 0.92 -0.12 2.92 1.01 -0.34 -1.41 120.40 124.89 1twh s VAL 825 Ca 0.46 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 61.98 1twh s VAL 825 Cb -0.19 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1twh s VAL 825 CO 0.20 0.29 0.07 0.00 0.00 0.00 0.00 175.10 175.66 1twh s ALA 826 N 0.37 3.55 -0.43 5.51 0.00 -0.72 -2.27 121.76 127.77 1twh s ALA 826 Ca -0.07 -0.73 -0.12 0.00 0.00 0.00 0.00 51.96 51.04 1twh s ALA 826 Cb -0.11 -1.77 0.06 0.00 0.00 0.00 0.00 23.12 21.30 1twh s ALA 826 CO 0.01 0.50 0.31 0.42 0.00 0.00 0.00 175.76 177.00 1twh s ILE 827 N -0.64 4.73 -0.04 0.00 1.01 -1.06 -2.07 121.20 123.13 1twh s ILE 827 Ca 0.12 -1.14 -0.28 0.00 0.00 0.00 0.00 60.65 59.34 1twh s ILE 827 Cb -0.12 -3.81 0.06 0.00 0.01 0.00 0.00 42.46 38.61 1twh s ILE 827 CO 0.02 -0.48 0.62 0.00 0.00 0.00 0.00 174.94 175.10 1twh s ALA 828 N 1.54 -1.61 -0.21 9.38 0.00 -0.17 -4.30 121.76 126.39 1twh s ALA 828 Ca 0.03 1.14 -0.27 0.00 0.00 0.00 0.00 51.96 52.86 1twh s ALA 828 Cb -0.23 0.04 -0.00 0.00 0.00 0.00 0.00 23.12 22.93 1twh s ALA 828 CO 0.05 -0.37 0.92 0.00 0.00 0.00 0.00 175.76 176.37 1twh s TYR 830 N 2.76 -1.39 0.00 0.00 5.04 -1.26 -4.98 117.35 117.52 1twh s TYR 830 Ca 0.40 0.27 0.00 0.00 -2.44 0.00 0.00 57.07 55.30 1twh s TYR 830 Cb -0.16 0.11 0.00 0.00 0.35 0.00 0.00 41.96 42.26 1twh s TYR 830 CO 0.09 -1.09 0.00 -1.13 -1.34 0.00 0.00 175.55 172.08 1twh n SER 831 N 4.78 0.00 0.00 4.32 3.41 -1.26 -4.46 113.62 120.41 1twh n SER 831 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1twh n SER 831 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1twh n SER 831 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1twh n GLY 832 N -1.94 0.61 1.34 5.00 0.00 -1.26 -4.92 105.19 104.02 1twh n GLY 832 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1twh n GLY 832 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1twh n TYR 833 N -2.00 1.14 -1.55 1.61 4.02 -1.26 -3.46 117.16 115.65 1twh n TYR 833 Ca 0.00 -0.49 -0.30 0.00 -0.01 0.00 0.00 57.90 57.10 1twh n TYR 833 Cb 0.00 -0.13 0.07 0.00 -0.02 0.00 0.00 39.34 39.25 1twh n TYR 833 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1twh n ASN 834 N 1.14 6.53 -4.89 7.72 6.94 -1.26 -4.54 115.26 126.89 1twh n ASN 834 Ca 0.22 -3.77 -0.29 0.00 -0.02 0.00 0.00 54.58 50.72 1twh n ASN 834 Cb 0.70 -0.76 -0.02 0.00 -2.36 0.00 0.00 39.78 37.33 1twh n ASN 834 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1twh s GLN 835 N -3.72 3.69 -1.11 -3.83 -0.21 -1.23 -4.24 119.66 109.01 1twh s GLN 835 Ca 0.60 0.30 -0.11 0.00 0.02 0.00 0.00 55.36 56.16 1twh s GLN 835 Cb 0.47 -2.44 -0.04 0.00 1.00 0.00 0.00 33.01 32.00 1twh s GLN 835 CO 0.01 -0.02 0.86 0.39 -2.12 0.00 0.00 175.29 174.40 1twh n GLU 836 N -1.47 -2.25 -3.42 2.91 -0.58 -1.26 -2.96 120.64 111.62 1twh n GLU 836 Ca 0.01 0.69 -0.17 0.00 -0.42 0.00 0.00 57.16 57.27 1twh n GLU 836 Cb 0.54 -5.12 0.08 0.00 -0.57 0.00 0.00 31.44 26.37 1twh n GLU 836 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1twh n ASP 837 N -3.00 -2.87 -4.07 1.62 8.00 -1.26 -5.04 116.55 109.94 1twh n ASP 837 Ca -0.11 -0.66 -0.16 0.00 0.71 0.00 0.00 54.79 54.57 1twh n ASP 837 Cb 0.62 -5.03 -0.10 0.00 -0.02 0.00 0.00 41.12 36.59 1twh n ASP 837 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1twh s SER 838 N -4.17 1.07 -0.01 -2.24 1.04 -1.15 -3.33 113.70 104.92 1twh s SER 838 Ca 0.09 -1.49 -0.03 0.00 0.48 0.00 0.00 55.95 55.01 1twh s SER 838 Cb -0.01 0.35 -0.00 0.00 0.10 0.00 0.00 66.02 66.45 1twh s SER 838 CO 0.74 -0.85 0.06 0.00 0.98 0.00 0.00 173.24 174.17 1twh s MET 839 N -3.93 0.22 -0.10 4.02 0.23 0.65 -4.47 119.30 115.92 1twh s MET 839 Ca 0.38 -0.16 -0.20 0.00 -1.03 0.00 0.00 55.69 54.67 1twh s MET 839 Cb 0.06 0.09 -0.04 0.00 -1.53 0.00 0.00 34.83 33.41 1twh s MET 839 CO 0.16 -0.04 0.57 0.42 -2.03 0.00 0.00 175.02 174.10 1twh s ILE 840 N -0.60 5.13 0.19 3.16 1.01 -1.18 0.27 121.20 129.19 1twh s ILE 840 Ca -0.07 1.16 0.08 0.00 0.00 0.00 0.00 60.65 61.82 1twh s ILE 840 Cb -0.04 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 1twh s ILE 840 CO 0.00 0.29 -0.02 -0.32 0.00 0.00 0.00 174.94 174.90 1twh s MET 841 N 0.70 2.32 -0.35 2.79 1.75 -1.16 -0.03 119.30 125.32 1twh s MET 841 Ca 0.31 -1.19 -0.23 0.00 -1.25 0.00 0.00 55.69 53.33 1twh s MET 841 Cb -0.16 -2.29 0.01 0.00 2.84 0.00 0.00 34.83 35.23 1twh s MET 841 CO 0.14 0.43 0.76 1.21 -0.65 0.00 0.00 175.02 176.91 1twh s ASN 842 N -3.05 6.55 0.25 1.11 3.84 -0.53 -1.86 114.94 121.25 1twh s ASN 842 Ca 0.28 0.37 -0.04 0.00 0.21 0.00 0.00 52.86 53.67 1twh s ASN 842 Cb -0.09 -2.39 0.28 0.00 -0.55 0.00 0.00 41.25 38.51 1twh s ASN 842 CO 0.18 -0.70 1.81 -0.61 -2.79 0.00 0.00 177.10 174.99 1twh h GLN 843 N 8.42 1.02 -0.50 0.43 5.75 -1.31 -1.28 115.11 127.64 1twh h GLN 843 Ca -0.25 -0.19 -0.05 0.00 -0.15 0.00 0.00 58.65 58.01 1twh h GLN 843 Cb 1.10 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.46 1twh h GLN 843 CO 0.90 0.86 0.11 0.77 -2.65 0.00 0.00 178.83 178.81 1twh h SER 844 N 0.99 0.72 -0.95 -0.69 0.02 -1.90 0.92 113.55 112.66 1twh h SER 844 Ca 0.22 -0.13 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1twh h SER 844 Cb 0.24 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.55 1twh h SER 844 CO -0.01 0.72 0.63 0.28 -1.14 0.00 0.00 176.83 177.31 1twh h SER 845 N 0.75 1.09 -0.58 3.07 0.02 -1.85 -0.03 113.55 116.01 1twh h SER 845 Ca 0.16 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.04 1twh h SER 845 Cb 0.30 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 1twh h SER 845 CO 0.00 0.78 0.19 0.40 -1.14 0.00 0.00 176.83 177.06 1twh h ILE 846 N 1.28 1.23 -0.82 3.27 1.08 -0.24 -1.18 117.51 122.13 1twh h ILE 846 Ca 0.35 -0.79 0.02 0.00 -0.39 0.00 0.00 64.86 64.05 1twh h ILE 846 Cb -0.12 0.55 -0.04 0.00 -3.07 0.00 0.00 36.82 34.14 1twh h ILE 846 CO -0.08 0.31 0.55 0.44 -0.69 0.00 0.00 178.15 178.67 1twh h ASP 847 N 0.90 0.93 -0.38 1.72 3.32 0.98 -1.88 116.42 122.00 1twh h ASP 847 Ca 0.20 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1twh h ASP 847 Cb 0.26 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1twh h ASP 847 CO -0.01 0.66 0.00 0.54 -1.72 0.00 0.00 179.24 178.72 1twh n ARG 848 N -4.42 1.93 0.00 3.56 1.74 -0.55 -4.84 116.66 114.08 1twh n ARG 848 Ca 0.10 -1.44 0.00 0.00 -0.77 0.00 0.00 57.85 55.74 1twh n ARG 848 Cb 0.05 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 1twh n ARG 848 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1twh n GLY 849 N 1.15 1.17 3.59 -0.13 0.00 -0.71 -5.08 105.19 105.18 1twh n GLY 849 Ca 0.14 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.67 1twh n GLY 849 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1twh n LEU 850 N 0.00 1.67 -1.44 0.99 7.94 -0.53 -2.21 117.00 123.43 1twh n LEU 850 Ca 0.00 1.14 -0.12 0.00 -1.11 0.00 0.00 56.01 55.92 1twh n LEU 850 Cb 0.00 -1.23 -0.05 0.00 0.53 0.00 0.00 43.42 42.67 1twh n LEU 850 CO 0.00 -1.19 -0.12 0.49 -1.11 0.00 0.00 177.39 175.46 1twh n PHE 851 N 1.73 -0.50 -2.47 1.96 0.99 -1.26 -4.63 117.46 113.27 1twh n PHE 851 Ca 0.15 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 57.22 1twh n PHE 851 Cb 0.24 -2.46 -0.04 0.00 -1.00 0.00 0.00 39.48 36.22 1twh n PHE 851 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 1twh s ARG 852 N -3.18 4.42 0.13 -1.08 3.52 -0.94 -4.50 118.95 117.32 1twh s ARG 852 Ca 0.00 1.72 -0.04 0.00 -0.13 0.00 0.00 55.73 57.28 1twh s ARG 852 Cb 0.00 -2.92 -0.03 0.00 -1.56 0.00 0.00 34.95 30.44 1twh s ARG 852 CO 0.00 0.04 0.12 -1.54 -0.81 0.00 0.00 175.30 173.11 1twh s SER 853 N -1.12 0.24 -0.02 -2.12 1.04 -0.80 -1.94 113.70 108.98 1twh s SER 853 Ca 0.50 -1.06 -0.13 0.00 0.48 0.00 0.00 55.95 55.74 1twh s SER 853 Cb -0.29 0.33 -0.05 0.00 0.10 0.00 0.00 66.02 66.11 1twh s SER 853 CO 0.37 -0.76 0.36 -0.76 0.98 0.00 0.00 173.24 173.42 1twh s LEU 854 N -3.00 4.45 -0.12 2.42 1.43 0.18 -1.47 118.68 122.58 1twh s LEU 854 Ca 0.19 0.86 0.01 0.00 -1.03 0.00 0.00 54.13 54.17 1twh s LEU 854 Cb 0.06 -2.52 0.02 0.00 0.03 0.00 0.00 46.19 43.78 1twh s LEU 854 CO -0.01 0.33 -0.13 0.12 0.23 0.00 0.00 176.35 176.89 1twh s PHE 855 N -1.09 1.89 -0.02 0.29 5.36 -0.31 -1.38 117.98 122.72 1twh s PHE 855 Ca 0.23 -0.93 0.05 0.00 -0.96 0.00 0.00 56.93 55.32 1twh s PHE 855 Cb -0.16 -1.40 -0.01 0.00 -0.34 0.00 0.00 43.02 41.11 1twh s PHE 855 CO 0.12 -0.51 -0.18 -0.06 -1.46 0.00 0.00 175.22 173.13 1twh s PHE 856 N 1.21 1.61 0.01 10.12 0.40 -0.77 -1.52 117.98 129.04 1twh s PHE 856 Ca -0.02 -0.34 0.06 0.00 -0.60 0.00 0.00 56.93 56.03 1twh s PHE 856 Cb -0.14 -1.05 -0.02 0.00 0.51 0.00 0.00 43.02 42.32 1twh s PHE 856 CO -0.05 -0.05 -0.18 0.50 0.70 0.00 0.00 175.22 176.14 1twh s ARG 857 N -0.33 1.34 -0.12 0.44 3.52 -0.80 -0.86 118.95 122.13 1twh s ARG 857 Ca 0.05 -0.73 0.00 0.00 -0.13 0.00 0.00 55.73 54.92 1twh s ARG 857 Cb -0.08 -1.34 -0.01 0.00 -1.56 0.00 0.00 34.95 31.96 1twh s ARG 857 CO -0.00 0.36 -0.14 -1.12 -0.81 0.00 0.00 175.30 173.58 1twh s SER 858 N -0.73 3.90 -0.12 -2.12 0.01 0.91 -1.31 113.70 114.25 1twh s SER 858 Ca 0.06 -0.35 -0.09 0.00 1.31 0.00 0.00 55.95 56.88 1twh s SER 858 Cb -0.07 -1.56 -0.04 0.00 0.21 0.00 0.00 66.02 64.55 1twh s SER 858 CO 0.00 0.17 0.20 -0.31 0.41 0.00 0.00 173.24 173.71 1twh s TYR 859 N 0.31 3.58 0.27 2.43 1.51 -0.05 -4.68 117.35 120.72 1twh s TYR 859 Ca -0.11 0.58 0.07 0.00 -1.01 0.00 0.00 57.07 56.60 1twh s TYR 859 Cb -0.16 -2.06 -0.03 0.00 -0.11 0.00 0.00 41.96 39.59 1twh s TYR 859 CO 0.06 0.61 0.28 1.41 -1.11 0.00 0.00 175.55 176.80 1twh s MET 860 N -0.70 3.00 -0.06 -0.62 1.75 -1.26 -1.78 119.30 119.64 1twh s MET 860 Ca 0.16 -1.04 -0.31 0.00 -1.25 0.00 0.00 55.69 53.25 1twh s MET 860 Cb -0.13 -2.63 0.07 0.00 2.84 0.00 0.00 34.83 34.98 1twh s MET 860 CO 0.05 0.31 0.68 0.34 -0.65 0.00 0.00 175.02 175.74 1twh s ASP 861 N -3.93 -0.66 0.55 1.11 2.15 -0.78 -4.96 116.67 110.15 1twh s ASP 861 Ca 0.36 0.74 0.07 0.00 0.43 0.00 0.00 52.55 54.15 1twh s ASP 861 Cb -0.08 0.57 0.07 0.00 -0.30 0.00 0.00 42.92 43.18 1twh s ASP 861 CO 0.27 -0.59 0.76 -1.10 -0.17 0.00 0.00 175.17 174.33 1twh s GLN 862 N -1.13 2.38 0.00 4.34 -1.52 -1.26 -0.21 119.66 122.26 1twh s GLN 862 Ca -0.11 -1.40 0.00 0.00 -1.95 0.00 0.00 55.36 51.91 1twh s GLN 862 Cb -0.00 -2.62 0.00 0.00 -0.22 0.00 0.00 33.01 30.16 1twh s GLN 862 CO 0.10 -0.77 0.00 -1.91 -0.25 0.00 0.00 175.29 172.46 1twh n GLU 863 N -2.22 3.09 -0.14 2.91 2.13 -1.15 -4.93 120.64 120.32 1twh n GLU 863 Ca 0.13 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.95 1twh n GLU 863 Cb 0.61 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.32 1twh n GLU 863 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1twh n LYS 864 N 0.00 1.51 0.00 5.31 2.85 -1.26 -4.79 118.16 121.79 1twh n LYS 864 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1twh n LYS 864 Cb 0.00 -0.19 0.00 0.00 -0.65 0.00 0.00 35.03 34.19 1twh n LYS 864 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1twh n LYS 865 N 0.56 0.00 0.00 -1.58 5.02 -1.26 -4.92 118.16 115.98 1twh n LYS 865 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1twh n LYS 865 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1twh n LYS 865 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1twh n TYR 866 N 0.00 0.00 -3.58 2.13 0.53 -1.26 -4.91 117.16 110.07 1twh n TYR 866 Ca 0.00 -0.34 -0.35 0.00 -1.02 0.00 0.00 57.90 56.19 1twh n TYR 866 Cb 0.00 -0.20 -0.05 0.00 -1.03 0.00 0.00 39.34 38.05 1twh n TYR 866 CO 0.00 0.00 0.00 0.20 -1.02 0.00 0.00 176.86 176.04 1twh s GLY 867 N 0.77 2.35 -0.21 2.72 0.00 -1.26 -5.07 107.32 106.63 1twh s GLY 867 Ca 0.00 -0.37 -0.26 0.00 0.00 0.00 0.00 44.72 44.09 1twh s GLY 867 CO 0.00 -0.13 1.64 -0.13 0.00 0.00 0.00 173.10 174.48 1twh n MET 868 N 1.01 0.42 -3.50 2.90 1.56 -1.26 -3.48 117.12 114.76 1twh n MET 868 Ca -0.09 -1.18 -0.21 0.00 -0.27 0.00 0.00 57.70 55.95 1twh n MET 868 Cb 0.52 -2.56 -0.04 0.00 2.15 0.00 0.00 33.22 33.29 1twh n MET 868 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 1twh n SER 869 N 8.22 -1.60 -4.41 6.12 7.64 -1.26 -4.96 113.62 123.38 1twh n SER 869 Ca 0.44 -0.37 -0.44 0.00 1.01 0.00 0.00 58.87 59.51 1twh n SER 869 Cb 0.38 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 1twh n SER 869 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1twh n ILE 870 N -3.32 4.29 -3.19 0.44 2.08 -1.23 -5.01 119.36 113.43 1twh n ILE 870 Ca 0.05 -4.75 -0.18 0.00 0.56 0.00 0.00 62.75 58.43 1twh n ILE 870 Cb 0.48 -2.46 0.00 0.00 -0.75 0.00 0.00 39.64 36.91 1twh n ILE 870 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 1twh s THR 871 N 1.25 3.26 0.35 1.39 2.01 -1.26 -4.33 115.64 118.30 1twh s THR 871 Ca 0.42 -1.04 0.08 0.00 0.31 0.00 0.00 61.69 61.46 1twh s THR 871 Cb -0.02 -3.11 -0.07 0.00 0.01 0.00 0.00 72.50 69.31 1twh s THR 871 CO -0.00 -0.04 -0.04 -1.61 -0.69 0.00 0.00 174.62 172.23 1twh s GLU 872 N -4.28 1.80 -0.27 4.92 2.02 -1.26 -4.39 118.70 117.24 1twh s GLU 872 Ca 0.52 -1.96 -0.11 0.00 0.02 0.00 0.00 54.97 53.43 1twh s GLU 872 Cb -0.09 -1.52 0.11 0.00 0.10 0.00 0.00 34.13 32.73 1twh s GLU 872 CO 0.32 0.03 0.62 0.99 0.02 0.00 0.00 175.26 177.24 1twh s THR 873 N -2.77 -0.62 -0.40 3.63 2.01 -1.04 -4.20 115.64 112.25 1twh s THR 873 Ca 0.33 0.03 -0.29 0.00 0.31 0.00 0.00 61.69 62.07 1twh s THR 873 Cb 0.06 -0.94 0.02 0.00 0.01 0.00 0.00 72.50 71.65 1twh s THR 873 CO 0.16 0.01 1.23 -0.36 -0.69 0.00 0.00 174.62 174.97 1twh s PHE 874 N 2.42 2.74 -0.28 4.92 2.99 -1.26 -2.61 117.98 126.90 1twh s PHE 874 Ca -0.07 0.81 -0.20 0.00 0.00 0.00 0.00 56.93 57.47 1twh s PHE 874 Cb -0.10 -4.19 0.11 0.00 0.00 0.00 0.00 43.02 38.85 1twh s PHE 874 CO -0.18 -1.45 0.90 -2.00 -0.00 0.00 0.00 175.22 172.49 1twh s GLU 875 N 4.39 0.55 -0.93 0.44 2.12 -1.16 -4.54 118.70 119.57 1twh s GLU 875 Ca 0.52 0.81 -0.29 0.00 0.36 0.00 0.00 54.97 56.38 1twh s GLU 875 Cb -0.11 0.18 -0.21 0.00 0.26 0.00 0.00 34.13 34.25 1twh s GLU 875 CO 0.28 -0.09 2.62 1.17 -0.54 0.00 0.00 175.26 178.69 1twh n LYS 876 N 3.25 0.14 -1.07 4.30 4.81 -1.26 -4.34 118.16 124.00 1twh n LYS 876 Ca -0.16 -0.01 -0.29 0.00 -0.87 0.00 0.00 58.31 56.98 1twh n LYS 876 Cb 0.57 -1.74 0.20 0.00 0.02 0.00 0.00 35.03 34.08 1twh n LYS 876 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1twh s PRO 877 N 8.76 -0.14 0.00 1.64 0.04 -1.26 -5.01 135.00 139.03 1twh s PRO 877 Ca 1.30 0.42 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1twh s PRO 877 Cb -1.07 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 31.79 1twh s PRO 877 CO 0.46 -3.09 0.00 1.04 0.04 0.00 0.00 177.00 175.45 1twh n GLN 878 N -4.41 2.13 0.00 4.56 6.02 -1.26 -5.08 117.38 119.34 1twh n GLN 878 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 1twh n GLN 878 Cb 0.57 -0.68 0.00 0.00 1.02 0.00 0.00 30.24 31.15 1twh n GLN 878 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1twh n ARG 879 N -0.91 0.00 -3.08 -1.09 1.74 -1.26 -5.09 116.66 106.97 1twh n ARG 879 Ca 0.00 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.85 1twh n ARG 879 Cb 0.13 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.53 1twh n ARG 879 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1twh n THR 880 N 0.00 1.46 -0.70 0.55 -1.04 -1.26 -4.97 114.28 108.32 1twh n THR 880 Ca 0.00 -5.06 0.00 0.00 -2.04 0.00 0.00 64.05 56.95 1twh n THR 880 Cb 0.00 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 1twh n THR 880 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1twh n ASN 881 N 0.11 -2.10 0.00 8.00 2.85 -1.26 -2.66 115.26 120.20 1twh n ASN 881 Ca 0.28 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.75 1twh n ASN 881 Cb 0.52 -0.35 0.00 0.00 1.24 0.00 0.00 39.78 41.18 1twh n ASN 881 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1twh n THR 882 N -2.70 0.00 -3.32 -0.44 -1.04 -1.26 -4.72 114.28 100.79 1twh n THR 882 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.83 1twh n THR 882 Cb 0.00 -0.05 0.07 0.00 -1.82 0.00 0.00 70.33 68.53 1twh n THR 882 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1twh n LEU 883 N -2.45 -3.29 -2.77 -4.42 -0.00 -0.90 -4.78 117.00 98.40 1twh n LEU 883 Ca 0.00 -0.45 -0.21 0.00 -0.00 0.00 0.00 56.01 55.35 1twh n LEU 883 Cb 0.00 -2.57 -0.07 0.00 -0.00 0.00 0.00 43.42 40.78 1twh n LEU 883 CO 0.00 0.47 2.19 -1.14 -0.00 0.00 0.00 177.39 178.90 1twh n ARG 884 N -3.97 2.22 -1.52 1.47 0.63 -0.71 -4.91 116.66 109.86 1twh n ARG 884 Ca -0.06 -1.34 -0.08 0.00 -0.92 0.00 0.00 57.85 55.45 1twh n ARG 884 Cb 0.57 -2.29 0.04 0.00 0.45 0.00 0.00 32.46 31.23 1twh n ARG 884 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 1twh n MET 885 N 3.40 0.52 -5.05 -0.14 2.81 -1.26 -4.39 117.12 113.00 1twh n MET 885 Ca 0.47 -1.12 -0.32 0.00 -1.81 0.00 0.00 57.70 54.93 1twh n MET 885 Cb 0.38 -0.20 -0.14 0.00 -0.71 0.00 0.00 33.22 32.55 1twh n MET 885 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1twh s LYS 886 N -3.29 2.46 0.00 0.03 -0.14 -1.26 -5.03 119.74 112.50 1twh s LYS 886 Ca 0.25 -0.79 0.00 0.00 -1.36 0.00 0.00 55.97 54.07 1twh s LYS 886 Cb -0.02 -2.27 0.00 0.00 -1.68 0.00 0.00 37.83 33.86 1twh s LYS 886 CO 0.16 0.54 0.06 0.72 -0.76 0.00 0.00 175.35 176.08 1twh n HIS 887 N 2.52 0.00 -4.60 3.18 8.25 -1.26 -4.61 115.22 118.71 1twh n HIS 887 Ca -0.17 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.02 1twh n HIS 887 Cb 0.52 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.52 1twh n HIS 887 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1twh s GLY 888 N -0.96 2.47 0.03 -1.41 0.00 -1.26 -4.98 107.32 101.20 1twh s GLY 888 Ca 0.00 -2.12 -0.22 0.00 0.00 0.00 0.00 44.72 42.38 1twh s GLY 888 CO 0.00 -2.05 0.67 -1.59 0.00 0.00 0.00 173.10 170.13 1twh s THR 889 N -2.84 4.81 -2.82 0.90 2.01 -1.26 -4.91 115.64 111.52 1twh s THR 889 Ca 0.33 1.41 0.25 0.00 0.31 0.00 0.00 61.69 63.99 1twh s THR 889 Cb 0.09 -4.01 0.30 0.00 0.01 0.00 0.00 72.50 68.89 1twh s THR 889 CO 0.16 0.41 1.40 -1.22 -0.69 0.00 0.00 174.62 174.69 1twh n TYR 890 N 2.65 0.03 0.00 4.92 4.02 -1.26 -2.57 117.16 124.95 1twh n TYR 890 Ca -0.05 -0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 1twh n TYR 890 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 1twh n TYR 890 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1twh n ASP 891 N 1.03 0.00 -0.01 7.72 10.43 -1.26 -1.33 116.55 133.13 1twh n ASP 891 Ca 0.16 0.00 0.03 0.00 2.57 0.00 0.00 54.79 57.55 1twh n ASP 891 Cb 0.53 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.46 1twh n ASP 891 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1twh n LYS 892 N -0.87 4.74 -1.69 -1.24 5.02 -1.26 -4.99 118.16 117.87 1twh n LYS 892 Ca 0.00 -0.03 -0.31 0.00 -2.02 0.00 0.00 58.31 55.95 1twh n LYS 892 Cb 0.00 -0.81 0.05 0.00 -0.02 0.00 0.00 35.03 34.25 1twh n LYS 892 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1twh s LEU 893 N -2.24 2.97 0.54 -0.35 1.43 -0.45 -4.49 118.68 116.10 1twh s LEU 893 Ca 0.03 1.40 0.04 0.00 -1.03 0.00 0.00 54.13 54.56 1twh s LEU 893 Cb 0.05 -4.23 0.05 0.00 0.03 0.00 0.00 46.19 42.09 1twh s LEU 893 CO 0.25 -1.44 0.75 -1.81 0.23 0.00 0.00 176.35 174.33 1twh s ASP 894 N -4.01 5.22 0.06 2.29 1.11 -1.09 -4.86 116.67 115.40 1twh s ASP 894 Ca 0.58 -0.26 0.18 0.00 0.18 0.00 0.00 52.55 53.23 1twh s ASP 894 Cb -0.13 -0.57 0.75 0.00 1.07 0.00 0.00 42.92 44.04 1twh s ASP 894 CO 0.54 -1.17 1.56 0.47 1.18 0.00 0.00 175.17 177.75 1twh n ASP 895 N -2.27 0.17 0.06 0.27 9.92 -1.26 -0.64 116.55 122.80 1twh n ASP 895 Ca 0.10 0.54 0.08 0.00 -0.53 0.00 0.00 54.79 54.97 1twh n ASP 895 Cb 0.60 -0.58 -0.05 0.00 -0.64 0.00 0.00 41.12 40.45 1twh n ASP 895 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1twh n ASP 896 N -1.69 0.70 0.00 -2.24 5.68 -1.26 -4.30 116.55 113.44 1twh n ASP 896 Ca 0.03 0.28 0.00 0.00 -0.50 0.00 0.00 54.79 54.61 1twh n ASP 896 Cb 0.20 0.61 0.00 0.00 -1.14 0.00 0.00 41.12 40.79 1twh n ASP 896 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1twh n GLY 897 N 1.27 0.75 3.35 6.12 0.00 0.18 -3.39 105.19 113.48 1twh n GLY 897 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 1twh n GLY 897 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1twh s LEU 898 N 0.00 -0.58 0.97 0.99 1.43 -1.25 -1.01 118.68 119.24 1twh s LEU 898 Ca 0.00 1.09 -0.12 0.00 -1.03 0.00 0.00 54.13 54.06 1twh s LEU 898 Cb 0.00 1.57 0.17 0.00 0.03 0.00 0.00 46.19 47.96 1twh s LEU 898 CO 0.00 -0.22 1.11 -0.63 0.23 0.00 0.00 176.35 176.84 1twh s ILE 899 N 2.20 2.01 0.00 -0.59 1.01 -1.24 -2.67 121.20 121.93 1twh s ILE 899 Ca -0.05 0.00 0.06 0.00 0.00 0.00 0.00 60.65 60.66 1twh s ILE 899 Cb -0.10 -2.60 -0.02 0.00 0.01 0.00 0.00 42.46 39.75 1twh s ILE 899 CO -0.14 -0.01 -0.18 0.00 0.00 0.00 0.00 174.94 174.62 1twh s ALA 900 N -3.09 1.47 0.22 9.38 0.00 -1.26 -4.87 121.76 123.61 1twh s ALA 900 Ca 0.65 -0.80 -0.28 0.00 0.00 0.00 0.00 51.96 51.53 1twh s ALA 900 Cb -0.17 -0.35 -0.17 0.00 0.00 0.00 0.00 23.12 22.44 1twh s ALA 900 CO 0.56 0.35 0.51 -2.30 0.00 0.00 0.00 175.76 174.88 1twh n PRO 901 N 2.45 0.07 0.00 0.00 -0.02 -1.26 -2.25 135.00 133.99 1twh n PRO 901 Ca -0.15 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 1twh n PRO 901 Cb 0.54 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.98 1twh n PRO 901 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1twh n GLY 902 N 1.98 2.80 3.73 -1.23 0.00 -0.64 -4.97 105.19 106.86 1twh n GLY 902 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1twh n GLY 902 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1twh s VAL 903 N -2.50 4.74 0.64 1.61 1.01 -0.96 -4.79 120.40 120.16 1twh s VAL 903 Ca 0.00 1.86 -0.15 0.00 0.00 0.00 0.00 61.98 63.69 1twh s VAL 903 Cb 0.00 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 1twh s VAL 903 CO 0.00 0.28 1.10 -0.13 0.00 0.00 0.00 175.10 176.35 1twh s ARG 904 N 0.36 2.92 0.17 2.72 0.52 -1.26 -3.01 118.95 121.37 1twh s ARG 904 Ca 0.45 1.36 -0.02 0.00 -0.52 0.00 0.00 55.73 56.99 1twh s ARG 904 Cb -0.21 -1.97 -0.04 0.00 0.52 0.00 0.00 34.95 33.26 1twh s ARG 904 CO 0.26 -1.15 0.14 0.14 0.02 0.00 0.00 175.30 174.70 1twh s VAL 905 N -2.34 0.04 0.06 3.52 -7.23 -0.54 -4.91 120.40 109.00 1twh s VAL 905 Ca 0.66 -1.88 -0.26 0.00 -1.81 0.00 0.00 61.98 58.69 1twh s VAL 905 Cb -0.20 -2.26 0.09 0.00 0.56 0.00 0.00 36.38 34.57 1twh s VAL 905 CO 0.40 -0.20 1.18 -0.55 -0.31 0.00 0.00 175.10 175.63 1twh s SER 906 N -3.09 -0.01 0.00 4.85 0.15 -1.26 -2.78 113.70 111.55 1twh s SER 906 Ca 0.31 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.58 1twh s SER 906 Cb 0.06 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 1twh s SER 906 CO 0.07 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 174.55 1twh n GLY 907 N -0.76 2.44 1.52 9.45 0.00 -1.20 -2.01 105.19 114.63 1twh n GLY 907 Ca -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 1twh n GLY 907 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1twh n GLU 908 N 13.61 1.61 -1.50 1.61 1.02 -1.26 -4.34 120.64 131.38 1twh n GLU 908 Ca 0.00 -3.17 -0.50 0.00 -0.02 0.00 0.00 57.16 53.47 1twh n GLU 908 Cb 0.00 -1.31 -0.04 0.00 -0.02 0.00 0.00 31.44 30.06 1twh n GLU 908 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1twh n ASP 909 N -0.50 0.15 -4.76 1.62 8.00 -0.85 -4.27 116.55 115.94 1twh n ASP 909 Ca 0.19 1.15 -0.39 0.00 0.71 0.00 0.00 54.79 56.44 1twh n ASP 909 Cb 0.89 -1.06 -0.05 0.00 -0.02 0.00 0.00 41.12 40.87 1twh n ASP 909 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1twh s VAL 910 N -0.50 3.92 0.00 2.53 1.01 -1.06 -2.14 120.40 124.15 1twh s VAL 910 Ca 0.73 1.85 0.00 0.00 0.00 0.00 0.00 61.98 64.56 1twh s VAL 910 Cb -0.96 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 31.28 1twh s VAL 910 CO 0.55 0.38 0.00 -0.38 0.00 0.00 0.00 175.10 175.65 1twh n ILE 911 N 1.17 0.00 -3.98 2.22 -0.00 -1.02 -4.67 119.36 113.08 1twh n ILE 911 Ca -0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 62.75 62.46 1twh n ILE 911 Cb 0.47 -0.38 -0.17 0.00 -0.00 0.00 0.00 39.64 39.56 1twh n ILE 911 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 1twh s ILE 912 N -1.80 1.34 0.09 1.39 1.01 -1.19 -3.61 121.20 118.43 1twh s ILE 912 Ca 0.00 -0.49 -0.19 0.00 0.00 0.00 0.00 60.65 59.97 1twh s ILE 912 Cb 0.00 -1.29 -0.07 0.00 0.01 0.00 0.00 42.46 41.11 1twh s ILE 912 CO 0.00 0.42 0.58 -0.83 0.00 0.00 0.00 174.94 175.11 1twh s GLY 913 N 1.57 2.65 0.18 6.18 0.00 -0.18 -0.78 107.32 116.94 1twh s GLY 913 Ca 0.05 0.02 -0.24 0.00 0.00 0.00 0.00 44.72 44.56 1twh s GLY 913 CO -0.10 0.43 0.77 1.25 0.00 0.00 0.00 173.10 175.45 1twh s LYS 914 N -1.27 1.38 0.05 2.90 2.20 -1.26 -2.98 119.74 120.76 1twh s LYS 914 Ca 0.31 -0.68 -0.07 0.00 -0.36 0.00 0.00 55.97 55.17 1twh s LYS 914 Cb -0.19 0.52 -0.01 0.00 -1.51 0.00 0.00 37.83 36.65 1twh s LYS 914 CO 0.19 -0.62 0.13 0.95 -0.36 0.00 0.00 175.35 175.63 1twh s THR 915 N -3.61 0.13 -0.07 3.43 -4.23 -1.07 -0.45 115.64 109.76 1twh s THR 915 Ca 0.08 -1.11 -0.02 0.00 -1.18 0.00 0.00 61.69 59.46 1twh s THR 915 Cb -0.03 -1.01 -0.04 0.00 1.34 0.00 0.00 72.50 72.76 1twh s THR 915 CO -0.01 -0.61 -0.08 0.41 -0.54 0.00 0.00 174.62 173.78 1twh n THR 916 N 0.57 0.41 -0.55 3.99 -1.04 4.01 -2.51 114.28 119.17 1twh n THR 916 Ca -0.18 -0.13 0.46 0.00 -2.04 0.00 0.00 64.05 62.16 1twh n THR 916 Cb 0.59 -1.25 0.79 0.00 -1.82 0.00 0.00 70.33 68.65 1twh n THR 916 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1twh h SER 933 N -0.16 0.00 -2.16 8.00 4.64 -1.79 -3.42 113.55 118.66 1twh h SER 933 Ca -0.18 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.51 1twh h SER 933 Cb 1.20 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.90 1twh h SER 933 CO -0.08 0.00 -0.29 0.29 -0.87 0.00 0.00 176.83 175.88 1twh n LYS 934 N -4.03 3.64 -2.18 4.77 4.76 -1.26 -4.97 118.16 118.90 1twh n LYS 934 Ca 0.36 -4.73 -0.39 0.00 -2.87 0.00 0.00 58.31 50.69 1twh n LYS 934 Cb 1.70 -2.28 -0.03 0.00 -1.84 0.00 0.00 35.03 32.57 1twh n LYS 934 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1twh s ARG 935 N -3.66 2.78 0.00 1.97 1.81 -1.26 -1.75 118.95 118.84 1twh s ARG 935 Ca 0.47 0.33 -0.30 0.00 -1.72 0.00 0.00 55.73 54.51 1twh s ARG 935 Cb 0.29 -4.38 -0.06 0.00 -0.45 0.00 0.00 34.95 30.35 1twh s ARG 935 CO -0.16 -2.61 1.56 0.34 -0.68 0.00 0.00 175.30 173.75 1twh s ASP 936 N 6.97 6.72 -0.46 0.23 3.68 -1.26 0.77 116.67 133.31 1twh s ASP 936 Ca 0.59 2.27 0.05 0.00 2.13 0.00 0.00 52.55 57.58 1twh s ASP 936 Cb -0.11 -2.55 0.42 0.00 -1.45 0.00 0.00 42.92 39.22 1twh s ASP 936 CO 0.18 -0.84 1.17 0.00 0.13 0.00 0.00 175.17 175.82 1twh n ALA 937 N 5.97 5.17 -2.58 3.66 0.00 0.40 -4.84 120.51 128.29 1twh n ALA 937 Ca 0.15 -4.30 -0.31 0.00 0.00 0.00 0.00 53.44 48.98 1twh n ALA 937 Cb 0.42 -0.63 -0.10 0.00 0.00 0.00 0.00 19.45 19.14 1twh n ALA 937 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1twh s SER 938 N -3.38 4.46 -0.13 0.00 0.15 -1.22 -4.38 113.70 109.20 1twh s SER 938 Ca 0.48 -0.30 -0.06 0.00 0.70 0.00 0.00 55.95 56.78 1twh s SER 938 Cb 0.40 -0.92 -0.04 0.00 -1.71 0.00 0.00 66.02 63.75 1twh s SER 938 CO -0.20 0.22 0.08 -0.89 1.20 0.00 0.00 173.24 173.65 1twh s THR 939 N -1.13 4.97 0.27 6.45 2.01 0.04 -4.94 115.64 123.31 1twh s THR 939 Ca 0.20 0.01 0.09 0.00 0.31 0.00 0.00 61.69 62.30 1twh s THR 939 Cb -0.11 -3.17 -0.05 0.00 0.01 0.00 0.00 72.50 69.17 1twh s THR 939 CO 0.11 0.56 -0.13 -2.16 -0.69 0.00 0.00 174.62 172.31 1twh s PRO 940 N -0.49 1.59 0.24 4.92 0.05 -1.26 -2.45 135.00 137.60 1twh s PRO 940 Ca 0.11 -1.77 -0.30 0.00 0.05 0.00 0.00 61.00 59.09 1twh s PRO 940 Cb -0.12 -1.45 -0.10 0.00 0.05 0.00 0.00 34.50 32.88 1twh s PRO 940 CO 0.02 0.18 1.51 -1.17 0.05 0.00 0.00 177.00 177.59 1twh s LEU 941 N -3.47 4.37 0.05 -3.56 2.96 -0.91 -4.79 118.68 113.33 1twh s LEU 941 Ca 0.29 2.72 -0.30 0.00 -0.22 0.00 0.00 54.13 56.62 1twh s LEU 941 Cb -0.00 -3.62 -0.16 0.00 0.50 0.00 0.00 46.19 42.91 1twh s LEU 941 CO 0.13 -0.78 0.74 0.54 -1.32 0.00 0.00 176.35 175.66 1twh n ARG 942 N 2.70 0.00 -0.16 1.98 5.12 -1.26 -4.52 116.66 120.52 1twh n ARG 942 Ca 0.09 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 56.08 1twh n ARG 942 Cb 0.39 -1.10 0.15 0.00 -1.16 0.00 0.00 32.46 30.74 1twh n ARG 942 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1twh n SER 943 N 1.34 -0.03 0.01 0.55 3.41 -1.26 -2.51 113.62 115.13 1twh n SER 943 Ca 0.16 0.78 0.11 0.00 -0.26 0.00 0.00 58.87 59.66 1twh n SER 943 Cb 0.11 -0.29 0.13 0.00 -0.26 0.00 0.00 64.21 63.89 1twh n SER 943 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1twh n THR 944 N -4.45 0.04 -3.40 6.66 -2.24 -1.26 -4.68 114.28 104.95 1twh n THR 944 Ca 0.11 -0.05 -0.31 0.00 -2.27 0.00 0.00 64.05 61.53 1twh n THR 944 Cb 0.38 0.39 -0.05 0.00 -2.10 0.00 0.00 70.33 68.95 1twh n THR 944 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1twh s GLU 945 N -3.04 3.77 0.08 -0.78 2.02 -1.05 -4.97 118.70 114.73 1twh s GLU 945 Ca 0.09 0.22 -0.26 0.00 0.02 0.00 0.00 54.97 55.04 1twh s GLU 945 Cb 0.16 -2.65 0.07 0.00 0.10 0.00 0.00 34.13 31.82 1twh s GLU 945 CO 0.75 0.30 0.64 0.54 0.02 0.00 0.00 175.26 177.52 1twh s ASN 946 N -2.51 -0.59 0.00 -0.19 4.22 -1.26 -3.27 114.94 111.34 1twh s ASN 946 Ca 0.47 0.25 0.00 0.00 -2.14 0.00 0.00 52.86 51.44 1twh s ASN 946 Cb -0.11 0.57 0.00 0.00 1.28 0.00 0.00 41.25 42.99 1twh s ASN 946 CO 0.23 -0.82 0.00 0.61 -2.04 0.00 0.00 177.10 175.08 1twh n GLY 947 N 0.08 -1.05 3.20 0.45 0.00 -1.12 -4.65 105.19 102.10 1twh n GLY 947 Ca -0.17 -1.12 -0.10 0.00 0.00 0.00 0.00 46.02 44.63 1twh n GLY 947 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1twh s ILE 948 N -3.00 -0.45 0.31 -0.61 1.01 -0.81 -1.47 121.20 116.19 1twh s ILE 948 Ca 0.00 0.18 -0.28 0.00 0.00 0.00 0.00 60.65 60.54 1twh s ILE 948 Cb 0.00 -0.59 -0.10 0.00 0.01 0.00 0.00 42.46 41.78 1twh s ILE 948 CO 0.00 0.07 1.14 -0.69 0.00 0.00 0.00 174.94 175.47 1twh s VAL 949 N 2.27 3.31 0.00 2.92 1.01 -1.16 -0.76 120.40 127.99 1twh s VAL 949 Ca -0.03 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.22 1twh s VAL 949 Cb -0.11 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1twh s VAL 949 CO -0.12 0.26 0.00 -0.67 0.00 0.00 0.00 175.10 174.58 1twh n ASP 950 N 0.89 1.94 -3.69 3.32 -0.08 0.54 -1.63 116.55 117.84 1twh n ASP 950 Ca 0.00 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.14 1twh n ASP 950 Cb 0.45 0.16 -0.08 0.00 2.34 0.00 0.00 41.12 43.99 1twh n ASP 950 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1twh s GLN 951 N -1.40 0.74 -0.00 -0.67 -0.21 -0.52 -4.91 119.66 112.67 1twh s GLN 951 Ca 0.00 0.06 0.01 0.00 0.02 0.00 0.00 55.36 55.45 1twh s GLN 951 Cb 0.00 0.34 -0.00 0.00 1.00 0.00 0.00 33.01 34.35 1twh s GLN 951 CO 0.00 -0.20 -0.04 0.08 -2.12 0.00 0.00 175.29 173.01 1twh s VAL 952 N -1.03 0.30 -0.14 1.09 1.01 -1.26 -1.59 120.40 118.79 1twh s VAL 952 Ca -0.11 -0.15 -0.08 0.00 0.00 0.00 0.00 61.98 61.64 1twh s VAL 952 Cb -0.04 -0.27 0.05 0.00 0.00 0.00 0.00 36.38 36.13 1twh s VAL 952 CO 0.05 0.09 0.33 -0.22 0.00 0.00 0.00 175.10 175.35 1twh s LEU 953 N -0.02 0.22 -0.02 3.92 0.20 -0.98 -5.02 118.68 116.97 1twh s LEU 953 Ca 0.01 0.71 0.01 0.00 0.69 0.00 0.00 54.13 55.54 1twh s LEU 953 Cb -0.02 1.06 0.02 0.00 -0.43 0.00 0.00 46.19 46.81 1twh s LEU 953 CO -0.00 -0.17 -0.01 -0.69 -0.29 0.00 0.00 176.35 175.19 1twh s VAL 954 N 1.21 0.20 0.03 1.68 1.01 -1.26 0.70 120.40 123.97 1twh s VAL 954 Ca -0.08 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 1twh s VAL 954 Cb -0.09 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.04 1twh s VAL 954 CO -0.10 0.12 0.07 0.35 0.00 0.00 0.00 175.10 175.55 1twh n THR 955 N 3.80 0.00 -5.14 3.92 -2.24 0.14 -5.00 114.28 109.76 1twh n THR 955 Ca -0.23 -0.07 -0.32 0.00 -2.27 0.00 0.00 64.05 61.17 1twh n THR 955 Cb 0.53 0.07 -0.16 0.00 -2.10 0.00 0.00 70.33 68.67 1twh n THR 955 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1twh s THR 956 N -2.81 2.33 0.43 4.28 2.01 -1.24 0.51 115.64 121.16 1twh s THR 956 Ca 0.01 -0.96 -0.04 0.00 0.31 0.00 0.00 61.69 61.01 1twh s THR 956 Cb -0.00 -1.88 0.07 0.00 0.01 0.00 0.00 72.50 70.70 1twh s THR 956 CO 0.01 0.57 0.16 -3.20 -0.69 0.00 0.00 174.62 171.46 1twh n ASN 957 N 3.01 -1.76 0.04 3.53 4.05 -0.45 -4.93 115.26 118.76 1twh n ASN 957 Ca -0.18 -0.16 -0.08 0.00 0.45 0.00 0.00 54.58 54.61 1twh n ASN 957 Cb 0.52 -0.34 0.07 0.00 1.23 0.00 0.00 39.78 41.25 1twh n ASN 957 CO 0.00 0.00 0.00 0.06 -3.05 0.00 0.00 177.26 174.27 1twh h GLN 958 N 0.00 0.41 -0.00 1.20 3.07 -1.89 -3.21 115.11 114.70 1twh h GLN 958 Ca -0.07 -0.29 0.00 0.00 0.09 0.00 0.00 58.65 58.38 1twh h GLN 958 Cb 0.24 0.05 0.00 0.00 0.08 0.00 0.00 27.48 27.85 1twh h GLN 958 CO 0.04 0.91 -0.63 -0.25 0.09 0.00 0.00 178.83 178.99 1twh n ASP 959 N -3.89 0.65 0.00 0.06 8.00 -1.26 -2.52 116.55 117.60 1twh n ASP 959 Ca -0.03 -0.47 0.00 0.00 0.71 0.00 0.00 54.79 54.99 1twh n ASP 959 Cb 0.64 0.45 0.00 0.00 -0.02 0.00 0.00 41.12 42.19 1twh n ASP 959 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1twh n GLY 960 N 1.50 0.27 3.36 0.44 0.00 -1.21 -4.94 105.19 104.61 1twh n GLY 960 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1twh n GLY 960 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1twh n LEU 961 N 0.00 -0.99 -4.70 0.99 4.77 -1.26 -4.51 117.00 111.29 1twh n LEU 961 Ca 0.00 0.37 -0.39 0.00 -0.03 0.00 0.00 56.01 55.96 1twh n LEU 961 Cb 0.00 -1.13 -0.06 0.00 -2.33 0.00 0.00 43.42 39.91 1twh n LEU 961 CO 0.00 -3.93 0.29 -0.54 -1.33 0.00 0.00 177.39 171.88 1twh s LYS 962 N -3.11 4.34 0.01 3.23 3.01 -1.26 -1.35 119.74 124.62 1twh s LYS 962 Ca 0.56 0.62 0.06 0.00 -1.01 0.00 0.00 55.97 56.20 1twh s LYS 962 Cb -0.25 -3.47 -0.03 0.00 -1.01 0.00 0.00 37.83 33.07 1twh s LYS 962 CO 0.68 0.03 -0.17 -0.06 0.51 0.00 0.00 175.35 176.34 1twh s PHE 963 N 0.99 2.60 0.10 3.18 2.99 0.18 -2.95 117.98 125.08 1twh s PHE 963 Ca 0.30 -0.23 0.10 0.00 0.00 0.00 0.00 56.93 57.10 1twh s PHE 963 Cb -0.16 -1.53 -0.04 0.00 0.00 0.00 0.00 43.02 41.30 1twh s PHE 963 CO 0.13 0.21 -0.26 0.54 -0.00 0.00 0.00 175.22 175.84 1twh s VAL 964 N -0.84 2.16 -0.09 -0.44 0.11 0.71 0.24 120.40 122.24 1twh s VAL 964 Ca 0.13 -1.62 -0.00 0.00 -2.93 0.00 0.00 61.98 57.56 1twh s VAL 964 Cb -0.11 -1.90 0.02 0.00 -1.53 0.00 0.00 36.38 32.87 1twh s VAL 964 CO 0.03 0.16 -0.06 -0.54 -3.33 0.00 0.00 175.10 171.36 1twh s LYS 965 N -1.78 1.29 -0.21 1.54 1.02 0.22 -1.87 119.74 119.95 1twh s LYS 965 Ca 0.13 -0.18 -0.02 0.00 0.02 0.00 0.00 55.97 55.91 1twh s LYS 965 Cb -0.10 -1.37 0.00 0.00 -0.52 0.00 0.00 37.83 35.84 1twh s LYS 965 CO 0.05 -0.23 -0.10 0.08 -0.92 0.00 0.00 175.35 174.23 1twh s VAL 966 N 1.59 2.92 -0.18 3.17 1.01 -0.73 -2.32 120.40 125.86 1twh s VAL 966 Ca 0.02 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.28 1twh s VAL 966 Cb -0.13 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1twh s VAL 966 CO -0.06 0.46 0.05 -0.60 0.00 0.00 0.00 175.10 174.96 1twh s ARG 967 N 1.41 3.94 -0.03 2.72 3.52 -0.62 -0.88 118.95 129.01 1twh s ARG 967 Ca 0.05 -0.37 0.03 0.00 -0.13 0.00 0.00 55.73 55.32 1twh s ARG 967 Cb -0.14 -3.18 -0.03 0.00 -1.56 0.00 0.00 34.95 30.04 1twh s ARG 967 CO -0.07 0.26 -0.09 0.08 -0.81 0.00 0.00 175.30 174.67 1twh s VAL 968 N 0.40 3.50 -0.12 7.11 1.01 -0.43 -0.34 120.40 131.53 1twh s VAL 968 Ca 0.02 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 1twh s VAL 968 Cb -0.13 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 1twh s VAL 968 CO 0.01 0.50 -0.05 -0.60 0.00 0.00 0.00 175.10 174.96 1twh s ARG 969 N -1.08 3.36 0.06 2.72 3.52 0.07 -1.91 118.95 125.68 1twh s ARG 969 Ca 0.14 -0.52 0.04 0.00 -0.13 0.00 0.00 55.73 55.26 1twh s ARG 969 Cb -0.11 -2.81 -0.03 0.00 -1.56 0.00 0.00 34.95 30.45 1twh s ARG 969 CO 0.04 0.40 -0.11 0.99 -0.81 0.00 0.00 175.30 175.80 1twh s THR 970 N -0.07 0.87 -0.09 4.11 2.01 -0.57 -1.92 115.64 119.98 1twh s THR 970 Ca 0.01 -1.21 -0.03 0.00 0.31 0.00 0.00 61.69 60.78 1twh s THR 970 Cb -0.13 -0.88 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 1twh s THR 970 CO 0.03 -0.29 0.02 -0.89 -0.69 0.00 0.00 174.62 172.80 1twh s THR 971 N -1.32 4.46 -0.20 -0.82 2.01 -1.26 -1.16 115.64 117.36 1twh s THR 971 Ca -0.05 -0.19 -0.02 0.00 0.31 0.00 0.00 61.69 61.74 1twh s THR 971 Cb -0.10 -2.89 0.00 0.00 0.01 0.00 0.00 72.50 69.52 1twh s THR 971 CO 0.01 0.60 -0.11 -0.54 -0.69 0.00 0.00 174.62 173.89 1twh s LYS 972 N -0.83 3.23 -0.13 4.92 1.02 -0.54 -4.97 119.74 122.44 1twh s LYS 972 Ca 0.13 -0.71 -0.11 0.00 0.02 0.00 0.00 55.97 55.30 1twh s LYS 972 Cb -0.11 -2.80 -0.05 0.00 -0.52 0.00 0.00 37.83 34.34 1twh s LYS 972 CO 0.02 -0.16 0.22 0.42 -0.92 0.00 0.00 175.35 174.93 1twh s ILE 973 N 1.30 5.35 0.42 2.17 1.01 -1.26 -1.90 121.20 128.30 1twh s ILE 973 Ca 0.04 0.40 -0.23 0.00 0.00 0.00 0.00 60.65 60.86 1twh s ILE 973 Cb -0.14 -3.53 -0.11 0.00 0.01 0.00 0.00 42.46 38.69 1twh s ILE 973 CO -0.06 0.51 0.80 -2.65 0.00 0.00 0.00 174.94 173.54 1twh n PRO 974 N 2.71 0.96 -3.75 2.79 -0.02 -1.26 -5.00 135.00 131.43 1twh n PRO 974 Ca -0.16 0.35 -0.10 0.00 -2.02 0.00 0.00 63.50 61.57 1twh n PRO 974 Cb 0.53 -1.79 -0.05 0.00 -0.02 0.00 0.00 33.50 32.17 1twh n PRO 974 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1twh s GLN 975 N -1.83 1.24 -0.12 -0.52 0.74 -1.26 -5.07 119.66 112.85 1twh s GLN 975 Ca 0.64 -0.88 -0.38 0.00 0.05 0.00 0.00 55.36 54.78 1twh s GLN 975 Cb -0.58 0.48 -0.15 0.00 1.10 0.00 0.00 33.01 33.85 1twh s GLN 975 CO 0.57 -0.50 1.63 -0.89 -0.55 0.00 0.00 175.29 175.55 1twh n ILE 976 N -0.28 0.23 0.00 -2.34 5.41 -1.26 -1.44 119.36 119.69 1twh n ILE 976 Ca -0.11 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.60 1twh n ILE 976 Cb 0.63 -1.21 0.00 0.00 -0.71 0.00 0.00 39.64 38.35 1twh n ILE 976 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1twh n GLY 977 N 3.69 2.61 3.84 7.39 0.00 -0.71 -4.87 105.19 117.13 1twh n GLY 977 Ca 0.23 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 1twh n GLY 977 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1twh s ASP 978 N -0.22 5.75 0.09 1.61 1.01 -0.52 -4.28 116.67 120.12 1twh s ASP 978 Ca 0.00 1.54 0.02 0.00 0.71 0.00 0.00 52.55 54.82 1twh s ASP 978 Cb 0.00 -2.49 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 1twh s ASP 978 CO 0.00 -1.20 0.15 -0.54 0.21 0.00 0.00 175.17 173.80 1twh s LYS 979 N -5.07 3.11 -0.10 8.23 1.02 -1.26 -1.09 119.74 124.59 1twh s LYS 979 Ca 0.57 -0.63 -0.18 0.00 0.02 0.00 0.00 55.97 55.75 1twh s LYS 979 Cb -0.13 -2.83 0.04 0.00 -0.52 0.00 0.00 37.83 34.39 1twh s LYS 979 CO 0.54 0.56 0.44 -0.06 -0.92 0.00 0.00 175.35 175.91 1twh s PHE 980 N -1.52 -0.41 -0.02 3.18 0.08 -0.83 -1.51 117.98 116.94 1twh s PHE 980 Ca 0.32 0.88 -0.10 0.00 0.12 0.00 0.00 56.93 58.15 1twh s PHE 980 Cb -0.12 0.18 0.01 0.00 -0.57 0.00 0.00 43.02 42.52 1twh s PHE 980 CO 0.25 -0.35 0.21 0.00 -0.10 0.00 0.00 175.22 175.23 1twh s ALA 981 N -0.51 -0.53 0.91 5.36 0.00 -0.20 -1.21 121.76 125.58 1twh s ALA 981 Ca -0.06 0.19 -0.02 0.00 0.00 0.00 0.00 51.96 52.07 1twh s ALA 981 Cb -0.03 -0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.10 1twh s ALA 981 CO 0.03 -0.20 0.16 -1.13 0.00 0.00 0.00 175.76 174.62 1twh n SER 982 N 1.73 0.04 -2.13 0.00 3.41 -1.21 -0.67 113.62 114.79 1twh n SER 982 Ca -0.20 -1.07 -0.16 0.00 -0.26 0.00 0.00 58.87 57.18 1twh n SER 982 Cb 0.56 -0.12 0.24 0.00 -0.26 0.00 0.00 64.21 64.63 1twh n SER 982 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1twh n ARG 983 N -1.33 2.90 -0.66 4.33 3.00 -1.26 -4.32 116.66 119.31 1twh n ARG 983 Ca 0.02 -3.05 0.01 0.00 -0.01 0.00 0.00 57.85 54.81 1twh n ARG 983 Cb 0.07 -2.20 0.20 0.00 0.00 0.00 0.00 32.46 30.54 1twh n ARG 983 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1twh n HIS 984 N -0.72 0.74 -1.24 -1.55 8.25 -1.26 -4.78 115.22 114.67 1twh n HIS 984 Ca 0.52 -1.45 -0.08 0.00 -0.26 0.00 0.00 57.72 56.44 1twh n HIS 984 Cb 1.55 -0.39 -0.04 0.00 1.12 0.00 0.00 29.99 32.23 1twh n HIS 984 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1twh n GLY 985 N -1.08 1.02 3.19 -1.41 0.00 -1.26 -4.80 105.19 100.84 1twh n GLY 985 Ca 0.27 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 1twh n GLY 985 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1twh s GLN 986 N -2.66 2.97 0.58 1.61 2.00 -1.26 -4.74 119.66 118.15 1twh s GLN 986 Ca 0.00 -0.88 0.06 0.00 -2.00 0.00 0.00 55.36 52.55 1twh s GLN 986 Cb 0.00 -2.84 0.10 0.00 0.80 0.00 0.00 33.01 31.07 1twh s GLN 986 CO 0.00 -0.30 0.80 0.36 -0.50 0.00 0.00 175.29 175.64 1twh n LYS 987 N 4.66 0.42 -3.57 1.67 2.85 -1.26 -3.35 118.16 119.59 1twh n LYS 987 Ca -0.18 -2.76 -0.11 0.00 -1.05 0.00 0.00 58.31 54.20 1twh n LYS 987 Cb 0.49 -0.34 -0.05 0.00 -0.65 0.00 0.00 35.03 34.47 1twh n LYS 987 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1twh s GLY 988 N -4.57 -0.32 0.32 2.58 0.00 -0.35 -4.80 107.32 100.18 1twh s GLY 988 Ca 0.58 1.88 0.02 0.00 0.00 0.00 0.00 44.72 47.19 1twh s GLY 988 CO 0.37 0.98 0.49 -0.51 0.00 0.00 0.00 173.10 174.44 1twh s THR 989 N -1.23 5.11 0.08 0.90 -4.23 -1.21 -1.97 115.64 113.10 1twh s THR 989 Ca -0.03 -0.63 -0.31 0.00 -1.18 0.00 0.00 61.69 59.55 1twh s THR 989 Cb -0.00 -3.85 -0.08 0.00 1.34 0.00 0.00 72.50 69.91 1twh s THR 989 CO 0.02 -0.48 1.46 -0.63 -0.54 0.00 0.00 174.62 174.45 1twh s ILE 990 N -2.22 3.27 -0.05 2.99 -1.09 -0.25 -0.25 121.20 123.59 1twh s ILE 990 Ca 0.38 0.83 0.20 0.00 -2.23 0.00 0.00 60.65 59.83 1twh s ILE 990 Cb -0.09 -3.53 -0.30 0.00 -1.58 0.00 0.00 42.46 36.95 1twh s ILE 990 CO 0.34 0.04 0.39 0.61 -1.23 0.00 0.00 174.94 175.08 1twh n GLY 991 N 3.66 -0.93 3.53 6.18 0.00 0.14 -1.73 105.19 116.03 1twh n GLY 991 Ca 0.13 -0.46 -0.07 0.00 0.00 0.00 0.00 46.02 45.62 1twh n GLY 991 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1twh s ILE 992 N -3.27 0.00 0.10 -0.61 2.07 -1.25 -4.92 121.20 113.33 1twh s ILE 992 Ca -0.08 -0.03 0.04 0.00 -1.41 0.00 0.00 60.65 59.18 1twh s ILE 992 Cb 0.12 -1.05 -0.04 0.00 0.13 0.00 0.00 42.46 41.62 1twh s ILE 992 CO 0.84 0.00 0.05 0.42 -1.91 0.00 0.00 174.94 174.34 1twh s THR 993 N -3.01 4.27 -0.04 4.00 -4.23 -1.26 -2.98 115.64 112.38 1twh s THR 993 Ca 0.06 -0.95 0.05 0.00 -1.18 0.00 0.00 61.69 59.67 1twh s THR 993 Cb -0.01 -3.08 -0.01 0.00 1.34 0.00 0.00 72.50 70.75 1twh s THR 993 CO -0.08 0.07 -0.19 -0.31 -0.54 0.00 0.00 174.62 173.57 1twh s TYR 994 N -1.44 1.83 0.86 3.99 4.12 -0.77 -4.78 117.35 121.15 1twh s TYR 994 Ca 0.28 -0.50 -0.12 0.00 0.02 0.00 0.00 57.07 56.75 1twh s TYR 994 Cb -0.11 -1.22 0.11 0.00 -1.52 0.00 0.00 41.96 39.21 1twh s TYR 994 CO 0.21 -0.15 1.11 1.03 0.02 0.00 0.00 175.55 177.77 1twh s ARG 995 N -0.09 1.58 0.29 -0.62 0.52 -1.26 -0.88 118.95 118.49 1twh s ARG 995 Ca -0.02 0.49 0.00 0.00 -0.52 0.00 0.00 55.73 55.69 1twh s ARG 995 Cb -0.11 -1.87 0.42 0.00 0.52 0.00 0.00 34.95 33.91 1twh s ARG 995 CO 0.02 -1.94 1.80 -0.09 0.02 0.00 0.00 175.30 175.11 1twh h ARG 996 N -1.32 0.71 -1.00 3.54 2.43 -1.95 -1.08 114.38 115.71 1twh h ARG 996 Ca -0.49 -0.17 0.32 0.00 -0.81 0.00 0.00 59.98 58.83 1twh h ARG 996 Cb 1.30 -0.09 -0.15 0.00 -0.42 0.00 0.00 29.97 30.61 1twh h ARG 996 CO 0.60 0.72 0.55 1.05 -1.51 0.00 0.00 179.97 181.38 1twh h GLU 997 N 0.67 0.31 0.00 0.20 4.11 -1.97 -2.91 114.58 114.99 1twh h GLU 997 Ca 0.14 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.55 1twh h GLU 997 Cb 0.40 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1twh h GLU 997 CO 0.01 0.20 -0.25 -0.44 0.07 0.00 0.00 179.01 178.61 1twh h ASP 998 N 0.32 0.00 -4.47 3.06 3.32 -1.47 -3.42 116.42 113.76 1twh h ASP 998 Ca 0.73 -0.07 -0.48 0.00 0.02 0.00 0.00 57.03 57.22 1twh h ASP 998 Cb 1.65 0.00 0.09 0.00 0.22 0.00 0.00 39.33 41.29 1twh h ASP 998 CO -0.61 0.04 0.40 -0.04 -1.72 0.00 0.00 179.24 177.30 1twh s MET 999 N -3.14 2.42 0.45 3.56 -1.94 -1.10 -4.28 119.30 115.27 1twh s MET 999 Ca 0.08 0.39 -0.19 0.00 -1.71 0.00 0.00 55.69 54.26 1twh s MET 999 Cb 0.12 -1.98 -0.10 0.00 2.01 0.00 0.00 34.83 34.88 1twh s MET 999 CO 0.65 -1.33 0.94 -1.25 -0.01 0.00 0.00 175.02 174.03 1twh s PRO 1000N -5.38 4.11 0.07 2.03 0.04 -1.26 -3.47 135.00 131.13 1twh s PRO 1000Ca 0.60 1.02 -0.05 0.00 0.04 0.00 0.00 61.00 62.60 1twh s PRO 1000Cb -0.12 -2.19 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 1twh s PRO 1000CO 0.51 -0.10 0.08 -0.59 0.04 0.00 0.00 177.00 176.95 1twh s PHE 1001N -2.32 0.33 0.38 0.56 -0.12 -0.01 -4.33 117.98 112.46 1twh s PHE 1001Ca 0.60 -0.81 -0.05 0.00 -0.05 0.00 0.00 56.93 56.63 1twh s PHE 1001Cb -0.09 -0.22 -0.04 0.00 -0.63 0.00 0.00 43.02 42.03 1twh s PHE 1001CO 0.20 -0.46 0.66 -0.08 -0.05 0.00 0.00 175.22 175.49 1twh s THR 1002N -3.83 4.97 0.34 -4.49 -1.32 0.66 0.27 115.64 112.24 1twh s THR 1002Ca 0.05 0.07 0.09 0.00 -1.21 0.00 0.00 61.69 60.70 1twh s THR 1002Cb 0.06 -3.80 0.33 0.00 -1.51 0.00 0.00 72.50 67.57 1twh s THR 1002CO -0.10 -0.57 1.82 0.00 -2.21 0.00 0.00 174.62 173.55 1twh h ALA 1003N 0.95 1.83 0.00 11.08 0.00 -1.89 0.76 119.26 131.99 1twh h ALA 1003Ca -0.48 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1twh h ALA 1003Cb 1.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1twh h ALA 1003CO 0.63 -0.15 0.00 0.39 0.00 0.00 0.00 179.25 180.12 1twh n GLU 1004N -4.65 0.00 -0.87 0.00 1.02 -1.26 -4.81 120.64 110.06 1twh n GLU 1004Ca 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 1twh n GLU 1004Cb 0.58 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 1twh n GLU 1004CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1twh n GLY 1005N -0.99 0.44 3.75 0.62 0.00 0.26 -5.01 105.19 104.26 1twh n GLY 1005Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1twh n GLY 1005CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1twh s ILE 1006N -2.19 3.72 0.05 -0.61 1.09 -1.26 -4.77 121.20 117.24 1twh s ILE 1006Ca 0.00 1.71 0.04 0.00 -1.10 0.00 0.00 60.65 61.30 1twh s ILE 1006Cb 0.00 -4.09 -0.02 0.00 -1.06 0.00 0.00 42.46 37.29 1twh s ILE 1006CO 0.00 0.40 -0.13 0.54 -0.10 0.00 0.00 174.94 175.65 1twh s VAL 1007N -1.08 0.97 0.35 2.92 0.11 -1.26 -0.25 120.40 122.17 1twh s VAL 1007Ca 0.44 -1.11 -0.26 0.00 -2.93 0.00 0.00 61.98 58.12 1twh s VAL 1007Cb -0.30 -0.93 -0.09 0.00 -1.53 0.00 0.00 36.38 33.53 1twh s VAL 1007CO 0.37 -0.16 1.04 -2.16 -3.33 0.00 0.00 175.10 170.87 1twh s PRO 1008N -1.43 4.38 0.06 1.54 0.05 -1.26 -4.90 135.00 133.43 1twh s PRO 1008Ca -0.02 1.57 0.25 0.00 0.05 0.00 0.00 61.00 62.84 1twh s PRO 1008Cb -0.09 -2.78 0.45 0.00 0.05 0.00 0.00 34.50 32.13 1twh s PRO 1008CO 0.01 0.04 1.38 -0.25 0.05 0.00 0.00 177.00 178.24 1twh n ASP 1009N 0.42 0.57 -3.62 6.66 8.00 -0.50 -4.57 116.55 123.52 1twh n ASP 1009Ca 0.03 -0.02 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 1twh n ASP 1009Cb 0.48 0.18 -0.07 0.00 -0.02 0.00 0.00 41.12 41.70 1twh n ASP 1009CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1twh s LEU 1010N -3.64 -0.59 -0.14 0.64 2.96 -1.02 -1.45 118.68 115.44 1twh s LEU 1010Ca 0.09 1.07 -0.00 0.00 -0.22 0.00 0.00 54.13 55.06 1twh s LEU 1010Cb 0.15 2.18 0.03 0.00 0.50 0.00 0.00 46.19 49.05 1twh s LEU 1010CO 0.70 -0.24 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.79 1twh s ILE 1011N 0.09 1.13 0.20 6.68 -1.09 0.96 -1.76 121.20 127.39 1twh s ILE 1011Ca 0.00 -0.48 0.07 0.00 -2.23 0.00 0.00 60.65 58.01 1twh s ILE 1011Cb -0.04 -1.20 -0.04 0.00 -1.58 0.00 0.00 42.46 39.60 1twh s ILE 1011CO -0.01 0.27 0.08 0.27 -1.23 0.00 0.00 174.94 174.32 1twh s ILE 1012N 1.65 4.05 -0.09 2.92 -5.25 -0.88 -3.08 121.20 120.52 1twh s ILE 1012Ca 0.03 -1.39 -0.12 0.00 -0.99 0.00 0.00 60.65 58.18 1twh s ILE 1012Cb -0.14 -3.10 -0.05 0.00 2.95 0.00 0.00 42.46 42.13 1twh s ILE 1012CO -0.08 -0.20 0.28 0.21 -1.79 0.00 0.00 174.94 173.36 1twh s ASN 1013N -3.27 6.55 0.63 4.36 3.84 -1.26 -1.00 114.94 124.78 1twh s ASN 1013Ca 0.30 0.65 0.40 0.00 0.21 0.00 0.00 52.86 54.42 1twh s ASN 1013Cb -0.09 -2.17 2.10 0.00 -0.55 0.00 0.00 41.25 40.55 1twh s ASN 1013CO 0.21 0.28 2.26 1.55 -2.79 0.00 0.00 177.10 178.62 1twh h PRO 1014N 5.43 0.00 0.00 0.43 0.13 -1.86 -2.43 132.00 133.70 1twh h PRO 1014Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1twh h PRO 1014Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1twh h PRO 1014CO 0.65 0.01 0.00 0.72 -0.23 0.00 0.00 178.00 179.15 1twh n HIS 1015N -3.17 0.00 1.74 1.56 8.25 -1.26 -1.39 115.22 120.94 1twh n HIS 1015Ca -0.02 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.58 1twh n HIS 1015Cb 0.13 -0.34 0.72 0.00 1.12 0.00 0.00 29.99 31.62 1twh n HIS 1015CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1twh n ALA 1016N -1.34 2.63 -0.11 -1.41 0.00 -0.92 -4.53 120.51 114.83 1twh n ALA 1016Ca 0.04 -0.32 -0.17 0.00 0.00 0.00 0.00 53.44 52.99 1twh n ALA 1016Cb 0.08 -1.33 -0.06 0.00 0.00 0.00 0.00 19.45 18.14 1twh n ALA 1016CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1twh n ILE 1017N -0.40 1.51 0.06 0.00 5.41 -0.49 -4.43 119.36 121.01 1twh n ILE 1017Ca 0.21 -0.05 -0.14 0.00 1.00 0.00 0.00 62.75 63.77 1twh n ILE 1017Cb 0.23 -2.18 -0.04 0.00 -0.71 0.00 0.00 39.64 36.94 1twh n ILE 1017CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1twh h PRO 1018N -1.00 0.46 0.00 0.38 0.13 -1.80 0.59 132.00 130.77 1twh h PRO 1018Ca -0.26 -0.46 -0.06 0.00 -0.87 0.00 0.00 66.00 64.36 1twh h PRO 1018Cb 1.22 0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 1twh h PRO 1018CO -0.16 1.11 -0.27 0.77 -0.23 0.00 0.00 178.00 179.23 1twh h SER 1019N 0.28 0.00 1.03 1.44 0.02 -1.85 -3.19 113.55 111.27 1twh h SER 1019Ca -0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1twh h SER 1019Cb 1.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.06 1twh h SER 1019CO 0.16 0.27 -0.12 0.54 -1.14 0.00 0.00 176.83 176.54 1twh n ARG 1020N -3.47 0.08 -3.56 3.45 5.12 0.13 -4.87 116.66 113.54 1twh n ARG 1020Ca -0.00 0.06 -0.19 0.00 -1.93 0.00 0.00 57.85 55.78 1twh n ARG 1020Cb 0.44 -1.58 0.06 0.00 -1.16 0.00 0.00 32.46 30.22 1twh n ARG 1020CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1twh n MET 1021N -1.72 -5.59 -3.04 5.56 2.81 -0.75 -4.69 117.12 109.70 1twh n MET 1021Ca 0.06 0.73 -0.40 0.00 -1.81 0.00 0.00 57.70 56.29 1twh n MET 1021Cb 0.37 -5.51 -0.01 0.00 -0.71 0.00 0.00 33.22 27.36 1twh n MET 1021CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1twh n THR 1022N -4.17 4.88 0.02 2.03 5.66 -1.25 -3.95 114.28 117.49 1twh n THR 1022Ca -0.29 -5.83 -0.06 0.00 -3.05 0.00 0.00 64.05 54.83 1twh n THR 1022Cb 0.67 -2.02 0.13 0.00 -1.55 0.00 0.00 70.33 67.56 1twh n THR 1022CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 1twh h VAL 1023N 3.27 1.30 -1.11 1.08 2.07 -1.91 -2.50 116.25 118.47 1twh h VAL 1023Ca 0.23 -1.55 0.31 0.00 0.82 0.00 0.00 66.70 66.50 1twh h VAL 1023Cb 0.59 1.58 -0.10 0.00 -1.52 0.00 0.00 31.29 31.84 1twh h VAL 1023CO 1.23 0.48 0.71 0.00 0.02 0.00 0.00 177.57 180.02 1twh h ALA 1024N 1.17 2.36 -0.65 1.67 0.00 -1.83 0.50 119.26 122.48 1twh h ALA 1024Ca 0.04 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.10 1twh h ALA 1024Cb 0.88 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 1twh h ALA 1024CO 0.07 -0.82 0.30 1.25 0.00 0.00 0.00 179.25 180.06 1twh h HIS 1025N 0.31 0.54 -0.12 0.00 6.17 -1.78 -0.17 115.15 120.10 1twh h HIS 1025Ca 0.65 0.03 -0.15 0.00 0.71 0.00 0.00 60.37 61.60 1twh h HIS 1025Cb 1.78 -0.15 0.01 0.00 2.52 0.00 0.00 27.41 31.56 1twh h HIS 1025CO -0.00 0.20 -0.53 -0.07 0.71 0.00 0.00 177.93 178.24 1twh h LEU 1026N 0.54 0.67 -1.48 0.26 3.38 -0.11 -2.13 115.31 116.44 1twh h LEU 1026Ca 0.31 -0.63 -0.06 0.00 0.09 0.00 0.00 57.88 57.60 1twh h LEU 1026Cb 0.32 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1twh h LEU 1026CO -0.25 1.19 -0.26 0.40 0.09 0.00 0.00 178.44 179.60 1twh h ILE 1027N 0.19 1.17 -0.15 1.22 2.04 -1.14 -2.39 117.51 118.44 1twh h ILE 1027Ca -0.03 -0.91 -0.18 0.00 1.00 0.00 0.00 64.86 64.74 1twh h ILE 1027Cb 1.17 1.50 -0.00 0.00 -0.74 0.00 0.00 36.82 38.74 1twh h ILE 1027CO 0.11 0.26 -0.63 -0.08 0.00 0.00 0.00 178.15 177.81 1twh h GLU 1028N 0.00 0.55 -0.44 2.37 4.81 -0.61 -1.44 114.58 119.82 1twh h GLU 1028Ca -0.00 -0.39 -0.13 0.00 -0.13 0.00 0.00 59.36 58.71 1twh h GLU 1028Cb 0.47 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1twh h GLU 1028CO 0.03 1.01 -0.24 0.00 -0.73 0.00 0.00 179.01 179.08 1twh h LEU 1030N 0.77 -0.64 -1.57 0.00 5.85 -1.37 -0.81 115.31 117.55 1twh h LEU 1030Ca 0.09 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.96 1twh h LEU 1030Cb 0.82 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.97 1twh h LEU 1030CO 0.07 -0.45 0.48 0.25 -0.34 0.00 0.00 178.44 178.45 1twh h LEU 1031N -0.77 0.41 -0.32 2.25 5.85 -1.24 -1.78 115.31 119.71 1twh h LEU 1031Ca -0.08 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.52 1twh h LEU 1031Cb 0.58 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1twh h LEU 1031CO 0.13 0.23 -0.66 0.28 -0.34 0.00 0.00 178.44 178.08 1twh h SER 1032N 0.45 0.00 0.17 1.25 0.02 0.10 -2.78 113.55 112.76 1twh h SER 1032Ca 0.34 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.28 1twh h SER 1032Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1twh h SER 1032CO -0.11 0.66 -0.08 0.50 -1.14 0.00 0.00 176.83 176.66 1twh h LYS 1033N 0.00 -0.22 -0.75 3.45 3.64 -0.45 -0.22 116.57 122.01 1twh h LYS 1033Ca -0.01 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 1twh h LYS 1033Cb 1.36 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.20 1twh h LYS 1033CO 0.09 -0.08 0.27 0.28 -2.27 0.00 0.00 179.45 177.74 1twh h VAL 1034N -0.31 1.26 -0.89 2.00 2.07 -1.50 -0.84 116.25 118.04 1twh h VAL 1034Ca -0.02 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 1twh h VAL 1034Cb 0.24 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 1twh h VAL 1034CO 0.04 0.34 0.50 0.00 0.02 0.00 0.00 177.57 178.47 1twh h ALA 1035N 1.19 1.14 0.00 1.67 0.00 -1.12 0.19 119.26 122.32 1twh h ALA 1035Ca 0.25 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 1twh h ALA 1035Cb 0.25 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1twh h ALA 1035CO -0.02 0.63 -0.68 0.00 0.00 0.00 0.00 179.25 179.18 1twh h ALA 1036N 1.27 0.56 -0.03 0.00 0.00 0.36 0.18 119.26 121.60 1twh h ALA 1036Ca 0.32 -0.62 -0.21 0.00 0.00 0.00 0.00 54.91 54.39 1twh h ALA 1036Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1twh h ALA 1036CO -0.05 0.85 -0.87 -0.07 0.00 0.00 0.00 179.25 179.10 1twh h LEU 1037N 0.00 0.56 -0.70 0.00 3.38 -0.76 -3.33 115.31 114.46 1twh h LEU 1037Ca -0.01 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1twh h LEU 1037Cb 1.52 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1twh h LEU 1037CO 0.09 1.20 -0.49 -1.54 0.09 0.00 0.00 178.44 177.79 1twh n SER 1038N -3.79 1.57 0.00 -0.43 3.41 0.60 -4.98 113.62 110.01 1twh n SER 1038Ca -0.06 -1.23 0.00 0.00 -0.26 0.00 0.00 58.87 57.32 1twh n SER 1038Cb 0.79 0.44 0.00 0.00 -0.26 0.00 0.00 64.21 65.19 1twh n SER 1038CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1twh n GLY 1039N 1.41 0.02 3.81 5.00 0.00 0.63 -4.99 105.19 111.06 1twh n GLY 1039Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1twh n GLY 1039CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1twh s ASN 1040N -2.01 6.86 0.09 1.61 0.01 -1.19 -5.02 114.94 115.29 1twh s ASN 1040Ca 0.00 1.02 -0.36 0.00 -0.71 0.00 0.00 52.86 52.81 1twh s ASN 1040Cb 0.00 -2.29 -0.18 0.00 0.41 0.00 0.00 41.25 39.20 1twh s ASN 1040CO 0.00 0.26 1.08 -0.62 -1.51 0.00 0.00 177.10 176.31 1twh n GLU 1041N 2.11 0.53 -3.84 -0.60 1.02 -1.26 -4.42 120.64 114.17 1twh n GLU 1041Ca -0.12 0.19 -0.35 0.00 -0.02 0.00 0.00 57.16 56.86 1twh n GLU 1041Cb 0.52 -1.65 -0.08 0.00 -0.02 0.00 0.00 31.44 30.20 1twh n GLU 1041CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1twh s GLY 1042N -0.03 2.02 -0.34 0.62 0.00 -1.00 -5.01 107.32 103.59 1twh s GLY 1042Ca 0.82 -0.70 -0.15 0.00 0.00 0.00 0.00 44.72 44.69 1twh s GLY 1042CO 0.53 0.01 0.34 -0.35 0.00 0.00 0.00 173.10 173.64 1twh s ASP 1043N 0.10 6.16 -0.17 1.64 2.15 -1.26 -2.87 116.67 122.43 1twh s ASP 1043Ca 0.08 -0.23 0.16 0.00 0.43 0.00 0.00 52.55 52.99 1twh s ASP 1043Cb -0.11 -2.19 0.37 0.00 -0.30 0.00 0.00 42.92 40.69 1twh s ASP 1043CO -0.00 -0.31 1.23 0.00 -0.17 0.00 0.00 175.17 175.92 1twh n ALA 1044N 5.34 2.81 -1.48 3.66 0.00 -0.46 -4.94 120.51 125.43 1twh n ALA 1044Ca -0.10 -2.75 -0.32 0.00 0.00 0.00 0.00 53.44 50.28 1twh n ALA 1044Cb 0.49 -0.46 0.06 0.00 0.00 0.00 0.00 19.45 19.54 1twh n ALA 1044CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1twh s SER 1045N -2.77 5.14 0.45 0.00 0.01 -1.25 -0.69 113.70 114.60 1twh s SER 1045Ca 0.36 1.76 -0.23 0.00 1.31 0.00 0.00 55.95 59.14 1twh s SER 1045Cb 0.32 -2.52 -0.08 0.00 0.21 0.00 0.00 66.02 63.96 1twh s SER 1045CO 0.02 -1.60 1.18 -2.16 0.41 0.00 0.00 173.24 171.09 1twh s PRO 1046N -4.73 3.80 -0.72 12.44 0.04 -1.26 -4.16 135.00 140.41 1twh s PRO 1046Ca 0.61 1.83 -0.01 0.00 0.04 0.00 0.00 61.00 63.47 1twh s PRO 1046Cb -0.16 -2.48 -0.01 0.00 0.04 0.00 0.00 34.50 31.89 1twh s PRO 1046CO 0.51 -0.53 0.61 1.19 0.04 0.00 0.00 177.00 178.81 1twh n PHE 1047N -0.36 -1.40 -2.78 0.56 0.99 -1.26 -4.74 117.46 108.48 1twh n PHE 1047Ca 0.07 0.57 0.00 0.00 -0.00 0.00 0.00 57.45 58.09 1twh n PHE 1047Cb 0.47 -3.83 0.00 0.00 -1.00 0.00 0.00 39.48 35.13 1twh n PHE 1047CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1twh n THR 1048N -2.86 0.00 0.63 4.37 -2.24 -1.26 -4.97 114.28 107.95 1twh n THR 1048Ca -0.15 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.70 1twh n THR 1048Cb 0.60 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.75 1twh n THR 1048CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1twh n ASP 1049N 0.00 0.71 -4.47 3.42 8.00 -1.26 -4.97 116.55 117.98 1twh n ASP 1049Ca 0.00 -0.79 -0.56 0.00 0.71 0.00 0.00 54.79 54.15 1twh n ASP 1049Cb 0.00 1.03 -0.07 0.00 -0.02 0.00 0.00 41.12 42.06 1twh n ASP 1049CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1twh n ILE 1050N -1.36 0.51 -3.97 0.53 -0.00 -1.26 -4.97 119.36 108.84 1twh n ILE 1050Ca 0.02 -0.13 -0.08 0.00 -0.00 0.00 0.00 62.75 62.56 1twh n ILE 1050Cb 0.23 0.00 -0.09 0.00 -0.00 0.00 0.00 39.64 39.78 1twh n ILE 1050CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 1twh s THR 1051N -0.26 0.17 0.24 1.39 2.01 -1.26 -4.97 115.64 112.97 1twh s THR 1051Ca 0.84 -1.43 0.20 0.00 0.31 0.00 0.00 61.69 61.61 1twh s THR 1051Cb -1.18 -1.31 0.17 0.00 0.01 0.00 0.00 72.50 70.18 1twh s THR 1051CO 0.57 -0.79 1.82 0.58 -0.69 0.00 0.00 174.62 176.10 1twh h VAL 1052N 3.14 0.85 -0.20 3.82 2.07 -1.93 -2.73 116.25 121.27 1twh h VAL 1052Ca -0.34 -1.27 -0.21 0.00 0.82 0.00 0.00 66.70 65.70 1twh h VAL 1052Cb 1.17 1.77 0.01 0.00 -1.52 0.00 0.00 31.29 32.72 1twh h VAL 1052CO 0.59 0.31 -0.68 -0.33 0.02 0.00 0.00 177.57 177.48 1twh h GLU 1053N 0.00 0.82 -0.74 1.57 4.39 -1.93 -0.61 114.58 118.08 1twh h GLU 1053Ca -0.00 -0.61 0.09 0.00 0.34 0.00 0.00 59.36 59.18 1twh h GLU 1053Cb 0.75 0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 29.44 1twh h GLU 1053CO 0.04 1.23 0.39 0.78 -1.16 0.00 0.00 179.01 180.29 1twh h GLY 1054N 0.57 1.12 1.62 -3.84 0.00 -1.92 -1.51 103.07 99.11 1twh h GLY 1054Ca -0.03 -0.25 -0.14 0.00 0.00 0.00 0.00 47.33 46.91 1twh h GLY 1054CO 0.14 0.08 -0.51 -2.22 0.00 0.00 0.00 176.54 174.03 1twh h ILE 1055N 0.66 1.33 0.02 2.60 1.08 -1.18 -1.96 117.51 120.07 1twh h ILE 1055Ca 0.36 -1.76 -0.12 0.00 -0.39 0.00 0.00 64.86 62.95 1twh h ILE 1055Cb 0.36 1.79 0.01 0.00 -3.07 0.00 0.00 36.82 35.91 1twh h ILE 1055CO -0.26 0.54 -0.49 0.28 -0.69 0.00 0.00 178.15 177.53 1twh h SER 1056N 0.32 0.39 -0.22 1.72 0.02 -0.68 -2.71 113.55 112.39 1twh h SER 1056Ca 0.01 -0.80 0.02 0.00 -0.84 0.00 0.00 61.79 60.18 1twh h SER 1056Cb 1.01 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.41 1twh h SER 1056CO 0.09 1.15 -0.13 0.29 -1.14 0.00 0.00 176.83 177.09 1twh n LYS 1057N -4.32 -0.10 -0.33 3.45 5.02 -0.61 -1.80 118.16 119.48 1twh n LYS 1057Ca -0.11 0.65 0.22 0.00 -2.02 0.00 0.00 58.31 57.05 1twh n LYS 1057Cb 0.63 -0.96 0.49 0.00 -0.02 0.00 0.00 35.03 35.16 1twh n LYS 1057CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1twh h LEU 1058N 0.00 0.49 -0.10 -0.35 3.38 -1.24 -1.66 115.31 115.83 1twh h LEU 1058Ca 0.04 0.09 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 1twh h LEU 1058Cb 0.09 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1twh h LEU 1058CO -0.21 0.09 -0.75 0.25 0.09 0.00 0.00 178.44 177.92 1twh h LEU 1059N 0.43 0.00 -0.75 1.67 5.85 -1.03 -2.61 115.31 118.88 1twh h LEU 1059Ca 0.60 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 59.20 1twh h LEU 1059Cb 1.45 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 1twh h LEU 1059CO -0.32 0.75 -0.29 -0.09 -0.34 0.00 0.00 178.44 178.15 1twh h ARG 1060N 0.00 0.63 -0.36 1.25 9.65 -0.68 -1.63 114.38 123.24 1twh h ARG 1060Ca -0.01 -0.27 0.09 0.00 -1.10 0.00 0.00 59.98 58.70 1twh h ARG 1060Cb 1.53 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 30.08 1twh h ARG 1060CO 0.10 0.85 0.26 0.93 2.80 0.00 0.00 179.97 184.90 1twh h GLU 1061N 0.54 0.06 -0.67 0.20 5.08 -1.16 0.16 114.58 118.79 1twh h GLU 1061Ca 0.07 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1twh h GLU 1061Cb 0.77 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1twh h GLU 1061CO 0.06 0.04 0.00 0.72 -1.00 0.00 0.00 179.01 178.83 1twh n HIS 1062N -4.44 1.39 -0.22 4.33 8.25 -0.67 -4.93 115.22 118.93 1twh n HIS 1062Ca 0.05 -0.57 0.00 0.00 -0.26 0.00 0.00 57.72 56.95 1twh n HIS 1062Cb 0.40 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.30 1twh n HIS 1062CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1twh n GLY 1063N 1.20 0.81 3.77 -1.41 0.00 0.55 -5.07 105.19 105.04 1twh n GLY 1063Ca 0.25 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.04 1twh n GLY 1063CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1twh s TYR 1064N -2.13 2.66 0.51 1.61 1.51 -1.15 -5.02 117.35 115.34 1twh s TYR 1064Ca 0.00 -0.52 -0.20 0.00 -1.01 0.00 0.00 57.07 55.35 1twh s TYR 1064Cb 0.00 -1.93 -0.07 0.00 -0.11 0.00 0.00 41.96 39.84 1twh s TYR 1064CO 0.00 0.15 1.07 1.14 -1.11 0.00 0.00 175.55 176.80 1twh s GLN 1065N -3.94 3.61 0.00 -0.62 1.03 -1.26 -4.19 119.66 114.29 1twh s GLN 1065Ca 0.42 1.45 0.27 0.00 0.04 0.00 0.00 55.36 57.54 1twh s GLN 1065Cb 0.01 -2.06 0.82 0.00 0.03 0.00 0.00 33.01 31.81 1twh s GLN 1065CO 0.24 -0.61 1.61 -1.13 -2.54 0.00 0.00 175.29 172.86 1twh n SER 1066N -1.13 0.89 -1.20 12.60 3.41 -1.26 -2.20 113.62 124.72 1twh n SER 1066Ca 0.10 -0.78 0.11 0.00 -0.26 0.00 0.00 58.87 58.04 1twh n SER 1066Cb 0.52 0.10 0.29 0.00 -0.26 0.00 0.00 64.21 64.86 1twh n SER 1066CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1twh n ARG 1067N -0.77 2.51 -0.51 4.33 5.12 -1.26 -4.36 116.66 121.71 1twh n ARG 1067Ca 0.12 -2.35 0.00 0.00 -1.93 0.00 0.00 57.85 53.69 1twh n ARG 1067Cb 0.34 -1.51 0.00 0.00 -1.16 0.00 0.00 32.46 30.13 1twh n ARG 1067CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1twh n GLY 1068N 1.54 0.76 3.73 -0.13 0.00 -0.93 -4.96 105.19 105.20 1twh n GLY 1068Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 1twh n GLY 1068CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1twh s PHE 1069N -2.90 2.23 0.03 1.61 0.40 -1.26 -2.51 117.98 115.58 1twh s PHE 1069Ca 0.00 1.63 -0.06 0.00 -0.60 0.00 0.00 56.93 57.91 1twh s PHE 1069Cb 0.00 -3.20 -0.01 0.00 0.51 0.00 0.00 43.02 40.32 1twh s PHE 1069CO 0.00 -2.18 0.10 -1.21 0.70 0.00 0.00 175.22 172.62 1twh s GLU 1070N -4.60 0.53 0.40 0.44 2.02 -0.81 -3.98 118.70 112.71 1twh s GLU 1070Ca 0.65 -0.64 -0.26 0.00 0.02 0.00 0.00 54.97 54.74 1twh s GLU 1070Cb -0.21 0.21 -0.09 0.00 0.10 0.00 0.00 34.13 34.15 1twh s GLU 1070CO 0.53 -0.13 1.32 0.08 0.02 0.00 0.00 175.26 177.08 1twh s VAL 1071N -2.15 2.56 0.25 2.63 1.01 -1.26 -2.35 120.40 121.09 1twh s VAL 1071Ca -0.09 0.50 0.02 0.00 0.00 0.00 0.00 61.98 62.41 1twh s VAL 1071Cb -0.04 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1twh s VAL 1071CO -0.02 0.08 0.17 -0.04 0.00 0.00 0.00 175.10 175.28 1twh s MET 1072N -2.23 1.41 -0.07 2.72 1.00 -1.26 -4.41 119.30 116.46 1twh s MET 1072Ca 0.57 -1.77 0.03 0.00 0.00 0.00 0.00 55.69 54.51 1twh s MET 1072Cb -0.39 0.21 0.01 0.00 0.00 0.00 0.00 34.83 34.66 1twh s MET 1072CO 0.50 -0.46 -0.16 0.71 0.00 0.00 0.00 175.02 175.62 1twh s TYR 1073N -3.88 1.74 0.12 -0.03 1.51 0.14 -2.19 117.35 114.76 1twh s TYR 1073Ca 0.39 -0.64 -0.31 0.00 -1.01 0.00 0.00 57.07 55.50 1twh s TYR 1073Cb 0.06 -1.22 -0.09 0.00 -0.11 0.00 0.00 41.96 40.59 1twh s TYR 1073CO 0.17 -0.29 1.65 1.21 -1.11 0.00 0.00 175.55 177.18 1twh s ASN 1074N 0.50 6.56 0.27 2.29 3.84 -0.25 -0.83 114.94 127.32 1twh s ASN 1074Ca -0.14 2.60 -0.03 0.00 0.21 0.00 0.00 52.86 55.50 1twh s ASN 1074Cb -0.16 -2.58 0.56 0.00 -0.55 0.00 0.00 41.25 38.52 1twh s ASN 1074CO 0.05 -0.88 1.64 1.23 -2.79 0.00 0.00 177.10 176.34 1twh h GLY 1075N 7.77 1.07 2.00 1.21 0.00 -1.74 -0.23 103.07 113.15 1twh h GLY 1075Ca -0.43 0.05 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 1twh h GLY 1075CO 0.93 -0.33 -0.20 0.45 0.00 0.00 0.00 176.54 177.39 1twh h HIS 1076N 0.14 0.00 0.00 5.60 3.86 -1.80 -3.37 115.15 119.59 1twh h HIS 1076Ca 0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.69 1twh h HIS 1076Cb 0.90 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.37 1twh h HIS 1076CO -0.36 0.20 -0.04 2.41 0.86 0.00 0.00 177.93 180.99 1twh n THR 1077N -3.28 0.00 -0.20 2.45 -1.04 -1.09 -5.02 114.28 106.11 1twh n THR 1077Ca 0.01 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 1twh n THR 1077Cb 0.47 0.96 0.00 0.00 -1.82 0.00 0.00 70.33 69.94 1twh n THR 1077CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1twh n GLY 1078N 0.79 0.00 3.77 3.41 0.00 -0.12 -4.97 105.19 108.08 1twh n GLY 1078Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1twh n GLY 1078CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1twh s LYS 1079N -0.40 3.98 0.88 1.61 2.20 -1.26 -4.52 119.74 122.23 1twh s LYS 1079Ca 0.00 2.37 -0.15 0.00 -0.36 0.00 0.00 55.97 57.83 1twh s LYS 1079Cb 0.00 -2.83 -0.03 0.00 -1.51 0.00 0.00 37.83 33.46 1twh s LYS 1079CO 0.00 -0.56 0.19 1.63 -0.36 0.00 0.00 175.35 176.25 1twh n LYS 1080N 0.22 -0.05 -3.92 4.03 5.02 -1.26 -1.09 118.16 121.11 1twh n LYS 1080Ca 0.03 0.02 -0.35 0.00 -2.02 0.00 0.00 58.31 55.99 1twh n LYS 1080Cb 0.41 -1.65 -0.09 0.00 -0.02 0.00 0.00 35.03 33.69 1twh n LYS 1080CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1twh s LEU 1081N 1.15 3.99 0.36 -0.35 1.43 -0.93 -4.64 118.68 119.68 1twh s LEU 1081Ca 0.56 0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.87 1twh s LEU 1081Cb -0.26 -2.01 0.66 0.00 0.03 0.00 0.00 46.19 44.62 1twh s LEU 1081CO 0.68 0.21 1.98 -0.03 0.23 0.00 0.00 176.35 179.42 1twh h MET 1082N 6.42 0.72 -6.11 1.70 1.85 -1.95 -3.42 114.93 114.15 1twh h MET 1082Ca -0.41 -0.07 -0.66 0.00 -0.61 0.00 0.00 59.70 57.95 1twh h MET 1082Cb 1.17 -0.15 -0.13 0.00 0.43 0.00 0.00 31.60 32.92 1twh h MET 1082CO 0.70 0.53 -0.62 0.00 -0.40 0.00 0.00 176.91 177.11 1twh s ALA 1083N -5.51 3.37 0.64 0.39 0.00 -1.26 -5.08 121.76 114.31 1twh s ALA 1083Ca -0.09 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 50.97 1twh s ALA 1083Cb 0.17 -1.41 0.10 0.00 0.00 0.00 0.00 23.12 21.98 1twh s ALA 1083CO 0.76 0.66 0.89 -0.65 0.00 0.00 0.00 175.76 177.42 1twh s GLN 1084N -1.59 2.01 -0.01 0.00 1.11 -1.26 -4.63 119.66 115.29 1twh s GLN 1084Ca 0.20 -1.23 0.01 0.00 0.01 0.00 0.00 55.36 54.35 1twh s GLN 1084Cb -0.12 -2.46 0.00 0.00 -1.01 0.00 0.00 33.01 29.42 1twh s GLN 1084CO 0.11 -1.14 -0.03 0.42 0.01 0.00 0.00 175.29 174.66 1twh s ILE 1085N -2.92 0.27 -0.05 1.08 1.09 -0.99 -4.85 121.20 114.82 1twh s ILE 1085Ca 0.63 -0.12 -0.23 0.00 -1.10 0.00 0.00 60.65 59.83 1twh s ILE 1085Cb -0.06 -0.25 -0.04 0.00 -1.06 0.00 0.00 42.46 41.05 1twh s ILE 1085CO 0.42 0.09 0.67 0.12 -0.10 0.00 0.00 174.94 176.13 1twh s PHE 1086N 0.05 3.60 -0.16 3.97 5.36 -1.26 -1.92 117.98 127.62 1twh s PHE 1086Ca -0.00 1.23 -0.11 0.00 -0.96 0.00 0.00 56.93 57.09 1twh s PHE 1086Cb -0.03 -2.75 0.05 0.00 -0.34 0.00 0.00 43.02 39.95 1twh s PHE 1086CO -0.00 0.15 0.41 0.12 -1.46 0.00 0.00 175.22 174.43 1twh s PHE 1087N 0.57 -0.55 0.00 10.12 5.36 -1.04 -2.55 117.98 129.88 1twh s PHE 1087Ca 0.36 1.22 0.00 0.00 -0.96 0.00 0.00 56.93 57.54 1twh s PHE 1087Cb -0.18 0.23 0.00 0.00 -0.34 0.00 0.00 43.02 42.73 1twh s PHE 1087CO 0.18 -0.30 0.00 0.41 -1.46 0.00 0.00 175.22 174.05 1twh n GLY 1088N 3.83 1.18 3.77 13.12 0.00 -0.96 -4.85 105.19 121.27 1twh n GLY 1088Ca -0.20 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 1twh n GLY 1088CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1twh s PRO 1089N -2.00 3.22 -0.02 1.61 0.02 -1.26 -1.20 135.00 135.37 1twh s PRO 1089Ca 0.00 1.67 -0.09 0.00 0.02 0.00 0.00 61.00 62.60 1twh s PRO 1089Cb 0.00 -1.98 0.01 0.00 0.02 0.00 0.00 34.50 32.55 1twh s PRO 1089CO 0.00 -0.97 0.19 0.99 -0.33 0.00 0.00 177.00 176.88 1twh s THR 1090N -1.74 0.06 -0.16 0.99 2.01 -0.19 -4.21 115.64 112.40 1twh s THR 1090Ca 0.74 -0.52 -0.15 0.00 0.31 0.00 0.00 61.69 62.07 1twh s THR 1090Cb -0.26 -0.45 -0.04 0.00 0.01 0.00 0.00 72.50 71.75 1twh s THR 1090CO 0.29 -0.29 0.33 -0.47 -0.69 0.00 0.00 174.62 173.80 1twh s TYR 1091N -1.12 3.46 -0.01 4.92 5.04 -1.26 -1.93 117.35 126.45 1twh s TYR 1091Ca -0.12 0.64 0.06 0.00 -2.44 0.00 0.00 57.07 55.21 1twh s TYR 1091Cb -0.06 -2.39 -0.02 0.00 0.35 0.00 0.00 41.96 39.84 1twh s TYR 1091CO 0.02 0.20 -0.19 0.71 -1.34 0.00 0.00 175.55 174.95 1twh s TYR 1092N 0.58 1.70 -0.03 4.97 1.51 -0.84 -4.21 117.35 121.02 1twh s TYR 1092Ca 0.18 -0.33 -0.00 0.00 -1.01 0.00 0.00 57.07 55.91 1twh s TYR 1092Cb -0.13 -1.08 -0.04 0.00 -0.11 0.00 0.00 41.96 40.60 1twh s TYR 1092CO 0.05 -0.01 0.02 -0.65 -1.11 0.00 0.00 175.55 173.85 1twh s GLN 1093N -0.56 2.91 -0.23 -0.62 -0.21 0.15 -1.91 119.66 119.19 1twh s GLN 1093Ca 0.07 -0.51 -0.12 0.00 0.02 0.00 0.00 55.36 54.82 1twh s GLN 1093Cb -0.08 -2.75 -0.05 0.00 1.00 0.00 0.00 33.01 31.14 1twh s GLN 1093CO -0.00 0.66 0.25 0.50 -2.12 0.00 0.00 175.29 174.57 1twh s ARG 1094N -1.34 4.09 0.30 2.91 3.52 -1.26 -1.04 118.95 126.13 1twh s ARG 1094Ca 0.18 -0.11 0.07 0.00 -0.13 0.00 0.00 55.73 55.73 1twh s ARG 1094Cb -0.12 -3.55 -0.02 0.00 -1.56 0.00 0.00 34.95 29.70 1twh s ARG 1094CO 0.08 -0.00 0.33 -0.51 -0.81 0.00 0.00 175.30 174.39 1twh s LEU 1095N 1.23 3.89 0.84 -0.88 1.43 -0.57 -1.80 118.68 122.81 1twh s LEU 1095Ca 0.11 -0.25 -0.12 0.00 -1.03 0.00 0.00 54.13 52.84 1twh s LEU 1095Cb -0.14 -2.51 0.10 0.00 0.03 0.00 0.00 46.19 43.66 1twh s LEU 1095CO 0.06 -0.25 1.18 0.00 0.23 0.00 0.00 176.35 177.57 1twh s ARG 1096N -4.00 1.75 0.00 1.70 1.70 -0.33 -4.52 118.95 115.24 1twh s ARG 1096Ca 0.39 0.12 0.00 0.00 -0.47 0.00 0.00 55.73 55.77 1twh s ARG 1096Cb -0.08 -1.92 0.00 0.00 -0.57 0.00 0.00 34.95 32.38 1twh s ARG 1096CO 0.28 -1.75 0.00 1.58 -1.08 0.00 0.00 175.30 174.33 1twh n HIS 1097N -3.42 0.00 -4.38 5.89 -0.00 -1.26 -4.91 115.22 107.14 1twh n HIS 1097Ca 0.08 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 58.06 1twh n HIS 1097Cb 0.61 -0.93 -0.10 0.00 -0.12 0.00 0.00 29.99 29.45 1twh n HIS 1097CO 0.00 0.00 0.00 -1.64 0.46 0.00 0.00 176.34 175.16 1twh s MET 1098N -0.53 1.42 0.34 1.57 -1.94 -1.26 -4.70 119.30 114.20 1twh s MET 1098Ca 0.00 -1.66 0.30 0.00 -1.71 0.00 0.00 55.69 52.62 1twh s MET 1098Cb 0.00 -1.21 1.08 0.00 2.01 0.00 0.00 34.83 36.71 1twh s MET 1098CO 0.00 0.17 1.00 0.28 -0.01 0.00 0.00 175.02 176.46 1twh n VAL 1099N -0.46 -0.04 0.00 -6.03 0.31 -1.26 -1.02 118.33 109.84 1twh n VAL 1099Ca -0.07 1.00 -0.18 0.00 -0.01 0.00 0.00 64.34 65.08 1twh n VAL 1099Cb 0.61 -1.65 -0.14 0.00 -0.91 0.00 0.00 33.84 31.75 1twh n VAL 1099CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1twh h ASP 1100N 0.00 0.28 0.00 4.52 5.19 -1.93 -3.28 116.42 121.21 1twh h ASP 1100Ca 0.59 -0.95 0.00 0.00 -0.62 0.00 0.00 57.03 56.05 1twh h ASP 1100Cb 2.29 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 41.71 1twh h ASP 1100CO -0.07 1.27 0.10 0.47 -3.12 0.00 0.00 179.24 177.89 1twh n ASP 1101N -4.30 0.33 0.03 6.45 9.92 -0.19 -4.32 116.55 124.47 1twh n ASP 1101Ca -0.14 0.61 -0.00 0.00 -0.53 0.00 0.00 54.79 54.73 1twh n ASP 1101Cb 0.70 -0.62 -0.00 0.00 -0.64 0.00 0.00 41.12 40.56 1twh n ASP 1101CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1twh n LYS 1102N -1.95 0.00 -1.28 -1.24 5.02 -1.25 -4.88 118.16 112.59 1twh n LYS 1102Ca -0.01 0.00 -0.54 0.00 -2.02 0.00 0.00 58.31 55.74 1twh n LYS 1102Cb 0.12 -0.50 -0.09 0.00 -0.02 0.00 0.00 35.03 34.54 1twh n LYS 1102CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1twh n ILE 1103N -3.29 0.00 -4.13 -0.18 5.41 -1.23 -5.00 119.36 110.94 1twh n ILE 1103Ca -0.00 0.00 -0.07 0.00 1.00 0.00 0.00 62.75 63.68 1twh n ILE 1103Cb 0.21 -0.42 -0.02 0.00 -0.71 0.00 0.00 39.64 38.70 1twh n ILE 1103CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1twh n HIS 1104N 4.84 -0.03 -2.68 1.39 8.25 -1.26 -4.95 115.22 120.78 1twh n HIS 1104Ca 0.36 -0.76 -0.05 0.00 -0.26 0.00 0.00 57.72 57.01 1twh n HIS 1104Cb -0.04 0.02 0.09 0.00 1.12 0.00 0.00 29.99 31.18 1twh n HIS 1104CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1twh n ALA 1105N -2.42 -2.85 -2.90 -1.41 0.00 -1.26 -5.16 120.51 104.50 1twh n ALA 1105Ca -0.04 -0.59 -0.44 0.00 0.00 0.00 0.00 53.44 52.37 1twh n ALA 1105Cb 0.17 -2.75 -0.05 0.00 0.00 0.00 0.00 19.45 16.82 1twh n ALA 1105CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1twh s ARG 1106N 0.16 3.11 -0.07 0.00 0.52 -1.26 -4.95 118.95 116.45 1twh s ARG 1106Ca 0.24 -1.00 0.10 0.00 -0.52 0.00 0.00 55.73 54.54 1twh s ARG 1106Cb 0.26 -4.18 0.15 0.00 0.52 0.00 0.00 34.95 31.70 1twh s ARG 1106CO -0.15 -1.45 1.04 0.00 0.02 0.00 0.00 175.30 174.77 1twh n ALA 1107N 6.55 2.06 -0.25 2.13 0.00 -1.26 -5.14 120.51 124.61 1twh n ALA 1107Ca -0.07 -1.82 0.00 0.00 0.00 0.00 0.00 53.44 51.55 1twh n ALA 1107Cb 0.44 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.61 1twh n ALA 1107CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1twh n ARG 1108N -0.87 0.00 0.01 0.00 0.63 -1.26 -5.15 116.66 110.02 1twh n ARG 1108Ca 0.08 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 57.01 1twh n ARG 1108Cb 0.55 -0.14 -0.00 0.00 0.45 0.00 0.00 32.46 33.32 1twh n ARG 1108CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1twh n GLY 1109N -0.63 -0.04 0.20 5.14 0.00 -1.26 -5.34 105.19 103.25 1twh n GLY 1109Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 1twh n GLY 1109CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1twh h PRO 1110N -0.07 0.50 0.00 1.61 0.11 -2.09 -3.59 132.00 128.48 1twh h PRO 1110Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1twh h PRO 1110Cb 0.07 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.06 1twh h PRO 1110CO 0.00 0.33 0.00 0.41 -0.21 0.00 0.00 178.00 178.53 1twh n GLY 1127N -1.24 0.00 0.00 -0.55 0.00 -1.26 -5.27 105.19 96.87 1twh n GLY 1127Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1twh n GLY 1127CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1twh n LEU 1128N 0.00 0.00 -4.03 0.99 7.94 -1.26 -5.15 117.00 115.50 1twh n LEU 1128Ca 0.00 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.80 1twh n LEU 1128Cb 0.00 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.89 1twh n LEU 1128CO 0.00 0.00 0.13 0.00 -1.11 0.00 0.00 177.39 176.41 1twh s ARG 1129N 0.26 1.52 -0.43 1.96 1.70 -1.26 -5.07 118.95 117.63 1twh s ARG 1129Ca 0.00 -1.32 0.05 0.00 -0.47 0.00 0.00 55.73 53.99 1twh s ARG 1129Cb 0.00 0.44 0.17 0.00 -0.57 0.00 0.00 34.95 35.00 1twh s ARG 1129CO 0.00 -0.62 0.42 0.12 -1.08 0.00 0.00 175.30 174.15 1twh s PHE 1130N -4.00 0.45 0.33 5.89 5.36 -1.26 -4.97 117.98 119.78 1twh s PHE 1130Ca 0.25 -1.90 0.02 0.00 -0.96 0.00 0.00 56.93 54.34 1twh s PHE 1130Cb 0.00 -0.63 0.06 0.00 -0.34 0.00 0.00 43.02 42.11 1twh s PHE 1130CO 0.10 -0.93 0.45 0.41 -1.46 0.00 0.00 175.22 173.79 1twh n GLY 1131N 2.91 1.33 0.39 13.12 0.00 -1.26 -4.85 105.19 116.82 1twh n GLY 1131Ca 0.27 -2.09 0.28 0.00 0.00 0.00 0.00 46.02 44.48 1twh n GLY 1131CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1twh h GLU 1132N 0.00 0.25 0.00 1.61 5.08 -1.99 0.36 114.58 119.89 1twh h GLU 1132Ca -0.15 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.08 1twh h GLU 1132Cb 0.62 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1twh h GLU 1132CO 0.19 0.16 -1.03 0.52 -1.00 0.00 0.00 179.01 177.85 1twh h MET 1133N 0.25 0.00 0.00 2.33 2.86 -1.99 -1.09 114.93 117.29 1twh h MET 1133Ca 0.74 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 58.29 1twh h MET 1133Cb 1.94 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.59 1twh h MET 1133CO -0.49 0.28 -0.41 0.93 1.06 0.00 0.00 176.91 178.28 1twh h GLU 1134N 0.00 0.00 -0.23 1.72 3.07 -1.43 -2.66 114.58 115.05 1twh h GLU 1134Ca -0.08 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.68 1twh h GLU 1134Cb 1.40 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.31 1twh h GLU 1134CO 0.04 0.41 -0.23 -0.09 -1.40 0.00 0.00 179.01 177.73 1twh h ARG 1135N 0.00 0.57 -0.64 2.33 2.43 0.05 -2.52 114.38 116.60 1twh h ARG 1135Ca -0.00 -0.30 0.02 0.00 -0.81 0.00 0.00 59.98 58.89 1twh h ARG 1135Cb 0.92 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.45 1twh h ARG 1135CO 0.05 0.89 0.42 -0.44 -1.51 0.00 0.00 179.97 179.39 1twh h ASP 1136N 0.27 0.68 -0.49 -3.80 3.32 -1.08 -1.44 116.42 113.88 1twh h ASP 1136Ca 0.04 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 1twh h ASP 1136Cb 0.79 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 1twh h ASP 1136CO 0.06 0.48 -0.07 0.00 -1.72 0.00 0.00 179.24 177.99 1twh h MET 1138N 0.78 0.00 -0.21 0.00 2.86 -1.01 -2.50 114.93 114.85 1twh h MET 1138Ca 0.13 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.72 1twh h MET 1138Cb 0.62 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 1twh h MET 1138CO 0.04 0.62 -0.06 0.82 1.06 0.00 0.00 176.91 179.38 1twh h ILE 1139N 0.00 1.29 -0.00 -1.22 2.04 -0.87 -0.92 117.51 117.82 1twh h ILE 1139Ca -0.01 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.78 1twh h ILE 1139Cb 1.14 1.57 -0.00 0.00 -0.74 0.00 0.00 36.82 38.79 1twh h ILE 1139CO 0.08 0.33 -0.00 0.00 0.00 0.00 0.00 178.15 178.55 1twh n ALA 1140N -2.38 -0.00 0.18 1.87 0.00 -0.88 -1.97 120.51 117.32 1twh n ALA 1140Ca -0.05 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.46 1twh n ALA 1140Cb 0.29 -0.00 0.24 0.00 0.00 0.00 0.00 19.45 19.99 1twh n ALA 1140CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1twh h HIS 1141N 0.00 0.00 0.00 0.00 3.86 -1.10 -3.47 115.15 114.45 1twh h HIS 1141Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1twh h HIS 1141Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1twh h HIS 1141CO -0.00 0.37 0.00 0.41 0.86 0.00 0.00 177.93 179.56 1twh n GLY 1142N 0.63 1.16 2.65 2.45 0.00 -0.40 -4.98 105.19 106.70 1twh n GLY 1142Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1twh n GLY 1142CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1twh n ALA 1143N -1.61 6.08 0.06 4.61 0.00 -0.89 -4.78 120.51 123.99 1twh n ALA 1143Ca 0.00 -3.95 -0.01 0.00 0.00 0.00 0.00 53.44 49.48 1twh n ALA 1143Cb 0.00 -3.26 0.28 0.00 0.00 0.00 0.00 19.45 16.47 1twh n ALA 1143CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1twh h ALA 1144N 5.55 1.28 -0.25 0.00 0.00 -1.94 -2.52 119.26 121.38 1twh h ALA 1144Ca 0.60 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 1twh h ALA 1144Cb 0.52 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1twh h ALA 1144CO 1.75 0.48 -0.26 0.77 0.00 0.00 0.00 179.25 181.99 1twh h SER 1145N 0.32 0.48 0.38 0.00 0.02 -1.99 0.60 113.55 113.36 1twh h SER 1145Ca 0.05 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.77 1twh h SER 1145Cb 0.55 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1twh h SER 1145CO 0.04 0.73 -0.34 0.15 -1.14 0.00 0.00 176.83 176.27 1twh h PHE 1146N 0.42 0.00 0.01 3.45 3.57 -1.86 -0.37 116.94 122.16 1twh h PHE 1146Ca 0.06 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.32 1twh h PHE 1146Cb 0.68 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.42 1twh h PHE 1146CO 0.02 0.34 -0.99 -0.07 -2.23 0.00 0.00 178.31 175.38 1twh h LEU 1147N 0.00 0.65 -1.04 0.59 3.38 -0.92 -2.18 115.31 115.79 1twh h LEU 1147Ca -0.00 -0.53 -0.10 0.00 0.09 0.00 0.00 57.88 57.34 1twh h LEU 1147Cb 0.62 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1twh h LEU 1147CO 0.04 1.33 -0.43 0.50 0.09 0.00 0.00 178.44 179.98 1twh h LYS 1148N 0.28 0.10 -0.21 1.13 3.64 -0.17 -2.77 116.57 118.57 1twh h LYS 1148Ca -0.10 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.08 1twh h LYS 1148Cb 1.64 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.46 1twh h LYS 1148CO 0.18 0.51 -0.48 1.49 -2.27 0.00 0.00 179.45 178.89 1twh h GLU 1149N 0.08 0.69 -0.11 1.90 4.81 -0.54 -2.85 114.58 118.56 1twh h GLU 1149Ca 0.01 -0.46 -0.19 0.00 -0.13 0.00 0.00 59.36 58.58 1twh h GLU 1149Cb 0.80 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.24 1twh h GLU 1149CO 0.06 1.08 -0.73 -0.09 -0.73 0.00 0.00 179.01 178.61 1twh h ARG 1150N 0.39 0.54 -0.38 1.92 9.65 -1.46 -3.24 114.38 121.80 1twh h ARG 1150Ca -0.00 -0.43 0.00 0.00 -1.10 0.00 0.00 59.98 58.45 1twh h ARG 1150Cb 1.09 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 1twh h ARG 1150CO 0.10 1.06 0.00 1.28 2.80 0.00 0.00 179.97 185.21 1twh n LEU 1151N -3.88 3.26 -4.23 3.80 4.77 -1.05 -4.99 117.00 114.68 1twh n LEU 1151Ca -0.05 -1.41 -0.27 0.00 -0.03 0.00 0.00 56.01 54.25 1twh n LEU 1151Cb 0.71 -0.24 0.24 0.00 -2.33 0.00 0.00 43.42 41.79 1twh n LEU 1151CO 0.49 0.70 0.17 0.80 -1.33 0.00 0.00 177.39 178.23 1twh n MET 1152N 1.36 -3.30 -2.75 3.23 1.56 -1.08 -5.03 117.12 111.12 1twh n MET 1152Ca 0.19 -0.97 -0.34 0.00 -0.27 0.00 0.00 57.70 56.31 1twh n MET 1152Cb 0.57 -1.84 -0.06 0.00 2.15 0.00 0.00 33.22 34.05 1twh n MET 1152CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 1twh s GLU 1153N -4.29 4.24 0.29 2.12 0.41 -1.26 -5.00 118.70 115.21 1twh s GLU 1153Ca 0.59 1.23 -0.01 0.00 -0.41 0.00 0.00 54.97 56.36 1twh s GLU 1153Cb -0.14 -2.33 0.43 0.00 -1.78 0.00 0.00 34.13 30.31 1twh s GLU 1153CO 0.55 -0.03 1.89 0.00 -0.49 0.00 0.00 175.26 177.18 1twh h ALA 1154N 2.18 1.30 0.00 5.21 0.00 -1.97 -3.46 119.26 122.53 1twh h ALA 1154Ca -0.49 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1twh h ALA 1154Cb 1.19 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1twh h ALA 1154CO 0.62 0.54 0.00 0.45 0.00 0.00 0.00 179.25 180.85 1twh n SER 1155N -4.34 0.00 -4.81 0.00 2.88 -1.26 -4.71 113.62 101.39 1twh n SER 1155Ca 0.06 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.29 1twh n SER 1155Cb 0.14 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.64 1twh n SER 1155CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1twh s ASP 1156N 0.00 5.45 -1.18 -3.46 1.01 -1.26 -4.47 116.67 112.77 1twh s ASP 1156Ca 0.00 1.70 -0.18 0.00 0.71 0.00 0.00 52.55 54.78 1twh s ASP 1156Cb 0.00 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 1twh s ASP 1156CO 0.00 -1.39 2.07 0.00 0.21 0.00 0.00 175.17 176.05 1twh n ALA 1157N -2.79 4.39 -0.71 5.23 0.00 -1.26 -3.25 120.51 122.13 1twh n ALA 1157Ca 0.08 -3.63 -0.28 0.00 0.00 0.00 0.00 53.44 49.62 1twh n ALA 1157Cb 0.53 -3.58 -0.04 0.00 0.00 0.00 0.00 19.45 16.36 1twh n ALA 1157CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1twh n PHE 1158N 7.17 0.43 -4.33 0.00 7.35 -1.20 -4.72 117.46 122.15 1twh n PHE 1158Ca 0.51 0.49 -0.25 0.00 -0.76 0.00 0.00 57.45 57.44 1twh n PHE 1158Cb 0.40 -0.96 -0.09 0.00 0.35 0.00 0.00 39.48 39.19 1twh n PHE 1158CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 1twh s ARG 1159N 0.37 2.07 -0.23 -4.13 3.00 -1.26 -2.39 118.95 116.38 1twh s ARG 1159Ca 0.43 -1.43 -0.14 0.00 -1.00 0.00 0.00 55.73 53.58 1twh s ARG 1159Cb -0.60 -2.08 0.07 0.00 0.00 0.00 0.00 34.95 32.34 1twh s ARG 1159CO 0.29 0.38 0.58 0.08 0.00 0.00 0.00 175.30 176.63 1twh s VAL 1160N -2.11 -0.01 0.24 7.11 1.01 -1.07 -5.00 120.40 120.57 1twh s VAL 1160Ca 0.28 0.03 -0.07 0.00 0.00 0.00 0.00 61.98 62.23 1twh s VAL 1160Cb -0.07 -0.83 -0.06 0.00 0.00 0.00 0.00 36.38 35.42 1twh s VAL 1160CO 0.17 0.01 0.52 -1.00 0.00 0.00 0.00 175.10 174.80 1twh s HIS 1161N 1.31 3.45 -0.03 5.22 0.09 -1.26 -1.61 115.29 122.47 1twh s HIS 1161Ca -0.08 0.71 -0.01 0.00 -0.00 0.00 0.00 55.06 55.68 1twh s HIS 1161Cb -0.06 -2.15 0.03 0.00 -0.00 0.00 0.00 32.58 30.41 1twh s HIS 1161CO -0.14 0.26 0.05 0.42 -0.00 0.00 0.00 174.74 175.34 1twh s ILE 1162N -1.90 -0.08 0.44 0.60 -1.09 -0.49 -4.30 121.20 114.38 1twh s ILE 1162Ca 0.45 0.28 -0.25 0.00 -2.23 0.00 0.00 60.65 58.90 1twh s ILE 1162Cb -0.11 -0.12 -0.08 0.00 -1.58 0.00 0.00 42.46 40.57 1twh s ILE 1162CO 0.25 0.12 1.27 0.00 -1.23 0.00 0.00 174.94 175.35 1twh n GLY 1164N 0.63 3.17 0.09 0.00 0.00 -1.20 -3.42 105.19 104.45 1twh n GLY 1164Ca 0.05 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 1twh n GLY 1164CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1twh n ILE 1165N 0.37 0.99 -1.87 -0.61 2.08 -1.26 -4.79 119.36 114.27 1twh n ILE 1165Ca 0.19 -0.40 -0.01 0.00 0.56 0.00 0.00 62.75 63.09 1twh n ILE 1165Cb 0.72 -1.07 0.13 0.00 -0.75 0.00 0.00 39.64 38.67 1twh n ILE 1165CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1twh n GLY 1167N -0.79 0.00 3.38 0.00 0.00 -1.22 -4.72 105.19 101.84 1twh n GLY 1167Ca 0.22 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.05 1twh n GLY 1167CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1twh s LEU 1168N 0.00 2.50 -1.14 0.99 1.43 -1.26 0.94 118.68 122.14 1twh s LEU 1168Ca 0.00 -1.11 -0.10 0.00 -1.03 0.00 0.00 54.13 51.89 1twh s LEU 1168Cb 0.00 -0.64 0.25 0.00 0.03 0.00 0.00 46.19 45.83 1twh s LEU 1168CO 0.00 -0.27 1.24 0.23 0.23 0.00 0.00 176.35 177.78 1twh n MET 1169N -0.48 3.58 -0.00 1.70 2.81 -1.26 -3.15 117.12 120.31 1twh n MET 1169Ca -0.07 -4.31 0.04 0.00 -1.81 0.00 0.00 57.70 51.56 1twh n MET 1169Cb 0.62 -2.67 -0.06 0.00 -0.71 0.00 0.00 33.22 30.41 1twh n MET 1169CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1twh n THR 1170N 3.03 0.00 -1.89 2.03 -2.24 -1.26 -5.03 114.28 108.92 1twh n THR 1170Ca 0.27 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.40 1twh n THR 1170Cb 0.39 0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 69.16 1twh n THR 1170CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1twh s VAL 1171N -2.26 3.02 -0.46 2.28 1.01 -1.26 -4.75 120.40 117.98 1twh s VAL 1171Ca -0.01 0.41 -0.23 0.00 0.00 0.00 0.00 61.98 62.15 1twh s VAL 1171Cb 0.05 -3.26 0.03 0.00 0.00 0.00 0.00 36.38 33.20 1twh s VAL 1171CO 0.33 -0.01 0.81 -0.63 0.00 0.00 0.00 175.10 175.60 1twh s ILE 1172N 2.92 4.61 -0.68 2.22 1.01 0.55 -4.63 121.20 127.21 1twh s ILE 1172Ca 0.76 0.47 -0.03 0.00 0.00 0.00 0.00 60.65 61.85 1twh s ILE 1172Cb -0.40 -4.35 0.17 0.00 0.01 0.00 0.00 42.46 37.89 1twh s ILE 1172CO 0.33 -0.75 0.51 0.00 0.00 0.00 0.00 174.94 175.03 1twh s ALA 1173N 3.39 3.71 -0.76 9.38 0.00 -1.25 0.06 121.76 136.28 1twh s ALA 1173Ca 0.31 -3.36 -0.25 0.00 0.00 0.00 0.00 51.96 48.66 1twh s ALA 1173Cb -0.12 -2.74 0.05 0.00 0.00 0.00 0.00 23.12 20.31 1twh s ALA 1173CO 0.23 -2.13 1.21 0.15 0.00 0.00 0.00 175.76 175.22 1twh s LYS 1174N -0.25 3.23 -0.13 0.00 1.02 0.24 -4.93 119.74 118.92 1twh s LYS 1174Ca 0.19 -0.57 -0.19 0.00 0.02 0.00 0.00 55.97 55.42 1twh s LYS 1174Cb -0.18 -4.37 -0.25 0.00 -0.52 0.00 0.00 37.83 32.52 1twh s LYS 1174CO -0.05 -2.05 0.50 -0.07 -0.92 0.00 0.00 175.35 172.75 1twh h LEU 1175N 12.45 0.24 0.00 3.17 3.38 -1.94 0.99 115.31 133.60 1twh h LEU 1175Ca -0.21 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 56.97 1twh h LEU 1175Cb 1.05 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1twh h LEU 1175CO 1.27 1.51 0.00 0.59 0.09 0.00 0.00 178.44 181.90 1twh n ASN 1176N -4.13 0.00 -0.42 -0.43 3.02 -1.26 -2.32 115.26 109.72 1twh n ASN 1176Ca -0.25 0.69 0.00 0.00 -0.03 0.00 0.00 54.58 54.99 1twh n ASN 1176Cb 0.79 -0.28 0.02 0.00 -0.61 0.00 0.00 39.78 39.70 1twh n ASN 1176CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1twh n HIS 1177N -2.25 0.08 -1.24 3.10 -0.00 -1.24 -4.96 115.22 108.72 1twh n HIS 1177Ca 0.00 -0.03 -0.08 0.00 -0.00 0.00 0.00 57.72 57.61 1twh n HIS 1177Cb 0.00 -0.08 -0.03 0.00 -0.00 0.00 0.00 29.99 29.87 1twh n HIS 1177CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 1twh n ASN 1178N -0.10 -5.50 -4.66 0.41 2.85 0.26 -4.96 115.26 103.56 1twh n ASN 1178Ca 0.01 0.20 -0.39 0.00 -0.11 0.00 0.00 54.58 54.30 1twh n ASN 1178Cb 0.22 -3.71 -0.07 0.00 1.24 0.00 0.00 39.78 37.45 1twh n ASN 1178CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1twh s GLN 1179N -2.56 4.16 -0.24 1.20 -0.21 0.27 -4.98 119.66 117.30 1twh s GLN 1179Ca 0.00 0.28 -0.01 0.00 0.02 0.00 0.00 55.36 55.65 1twh s GLN 1179Cb 0.00 -3.56 0.07 0.00 1.00 0.00 0.00 33.01 30.52 1twh s GLN 1179CO 0.00 -0.12 0.03 -0.06 -2.12 0.00 0.00 175.29 173.03 1twh s PHE 1180N 1.54 1.58 -0.13 0.91 2.99 -1.20 0.80 117.98 124.48 1twh s PHE 1180Ca 0.21 -1.35 0.02 0.00 0.00 0.00 0.00 56.93 55.81 1twh s PHE 1180Cb -0.15 -1.37 0.00 0.00 0.00 0.00 0.00 43.02 41.50 1twh s PHE 1180CO 0.09 -0.73 -0.19 -2.00 -0.00 0.00 0.00 175.22 172.39 1twh s GLU 1181N 1.67 3.13 -1.25 0.44 2.12 0.11 -4.19 118.70 120.73 1twh s GLU 1181Ca 0.01 -0.81 -0.19 0.00 0.36 0.00 0.00 54.97 54.34 1twh s GLU 1181Cb -0.18 -2.49 0.06 0.00 0.26 0.00 0.00 34.13 31.79 1twh s GLU 1181CO -0.12 0.06 1.69 0.00 -0.54 0.00 0.00 175.26 176.35 1twh n LYS 1183N 8.49 0.81 0.00 0.00 0.00 -1.26 0.50 118.16 126.70 1twh n LYS 1183Ca 0.46 0.30 0.00 0.00 0.00 0.00 0.00 58.31 59.07 1twh n LYS 1183Cb 0.47 -1.92 0.00 0.00 0.00 0.00 0.00 35.03 33.58 1twh n LYS 1183CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1twh n GLY 1184N 3.89 0.89 0.18 3.14 0.00 -1.26 -4.52 105.19 107.50 1twh n GLY 1184Ca 0.27 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.40 1twh n GLY 1184CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1twh n ASP 1186N -0.95 -3.88 -3.87 0.00 2.03 0.18 -4.97 116.55 105.09 1twh n ASP 1186Ca 0.07 -0.37 -0.13 0.00 0.52 0.00 0.00 54.79 54.88 1twh n ASP 1186Cb 0.37 -3.21 -0.14 0.00 -0.72 0.00 0.00 41.12 37.42 1twh n ASP 1186CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1twh s ASN 1187N -2.71 0.09 0.00 1.67 2.47 -1.24 -5.01 114.94 110.22 1twh s ASN 1187Ca 0.39 -0.01 0.00 0.00 0.42 0.00 0.00 52.86 53.66 1twh s ASN 1187Cb -0.20 -0.02 0.00 0.00 -1.45 0.00 0.00 41.25 39.58 1twh s ASN 1187CO 0.47 -0.01 0.04 0.29 -3.72 0.00 0.00 177.10 174.18 1twh n LYS 1188N 3.19 0.36 0.00 0.43 5.02 -1.26 -0.51 118.16 125.39 1twh n LYS 1188Ca -0.14 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 1twh n LYS 1188Cb 0.59 -0.35 0.00 0.00 -0.02 0.00 0.00 35.03 35.25 1twh n LYS 1188CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1twh n ILE 1189N -0.06 0.00 -1.52 -0.18 2.08 -1.26 -4.70 119.36 113.72 1twh n ILE 1189Ca 0.00 0.00 -0.28 0.00 0.56 0.00 0.00 62.75 63.03 1twh n ILE 1189Cb 0.12 -0.10 -0.13 0.00 -0.75 0.00 0.00 39.64 38.78 1twh n ILE 1189CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1twh n ASP 1190N -0.42 0.55 -3.56 4.38 -0.08 -1.26 -4.90 116.55 111.25 1twh n ASP 1190Ca 0.00 -0.55 -0.14 0.00 -1.51 0.00 0.00 54.79 52.60 1twh n ASP 1190Cb 0.00 -1.12 -0.06 0.00 2.34 0.00 0.00 41.12 42.29 1twh n ASP 1190CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1twh s ILE 1191N 8.43 0.00 0.15 5.18 1.01 -1.26 -3.23 121.20 131.47 1twh s ILE 1191Ca 1.17 0.00 0.01 0.00 0.00 0.00 0.00 60.65 61.83 1twh s ILE 1191Cb -0.66 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 1twh s ILE 1191CO 0.37 0.00 0.01 -0.31 0.00 0.00 0.00 174.94 175.02 1twh s TYR 1192N -0.92 1.05 0.09 3.97 1.51 -0.77 -4.96 117.35 117.32 1twh s TYR 1192Ca -0.05 -1.08 0.10 0.00 -1.01 0.00 0.00 57.07 55.03 1twh s TYR 1192Cb -0.01 -0.60 -0.03 0.00 -0.11 0.00 0.00 41.96 41.20 1twh s TYR 1192CO 0.04 -0.31 -0.26 -1.14 -1.11 0.00 0.00 175.55 172.77 1twh s GLN 1193N -3.95 1.61 0.14 -0.62 0.74 -1.26 -1.39 119.66 114.93 1twh s GLN 1193Ca 0.22 -1.23 -0.05 0.00 0.05 0.00 0.00 55.36 54.36 1twh s GLN 1193Cb 0.07 -1.95 -0.02 0.00 1.10 0.00 0.00 33.01 32.21 1twh s GLN 1193CO 0.02 0.48 0.16 0.96 -0.55 0.00 0.00 175.29 176.37 1twh s ILE 1194N -0.93 0.09 -0.04 -2.34 -4.36 -0.63 -4.94 121.20 108.04 1twh s ILE 1194Ca 0.13 -1.62 0.05 0.00 -0.26 0.00 0.00 60.65 58.95 1twh s ILE 1194Cb -0.10 -1.88 -0.02 0.00 1.25 0.00 0.00 42.46 41.70 1twh s ILE 1194CO 0.04 -0.42 -0.18 -1.00 0.24 0.00 0.00 174.94 173.61 1twh s HIS 1195N -3.99 2.59 0.00 1.37 3.76 -1.26 -2.58 115.29 115.17 1twh s HIS 1195Ca 0.19 -0.29 -0.04 0.00 -0.15 0.00 0.00 55.06 54.77 1twh s HIS 1195Cb 0.05 -1.60 -0.01 0.00 1.11 0.00 0.00 32.58 32.14 1twh s HIS 1195CO -0.00 0.08 0.07 0.96 -0.85 0.00 0.00 174.74 175.00 1twh s ILE 1196N -0.62 0.08 0.35 0.60 -4.36 -1.00 -5.03 121.20 111.22 1twh s ILE 1196Ca 0.09 -0.68 -0.26 0.00 -0.26 0.00 0.00 60.65 59.54 1twh s ILE 1196Cb -0.11 -0.33 -0.13 0.00 1.25 0.00 0.00 42.46 43.15 1twh s ILE 1196CO 0.00 -0.37 0.94 -2.65 0.24 0.00 0.00 174.94 173.10 1twh n PRO 1197N 1.72 1.23 -0.11 0.37 -0.02 -1.26 -3.25 135.00 133.68 1twh n PRO 1197Ca -0.22 0.43 0.03 0.00 -2.02 0.00 0.00 63.50 61.72 1twh n PRO 1197Cb 0.56 -1.85 0.34 0.00 -0.02 0.00 0.00 33.50 32.53 1twh n PRO 1197CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1twh h TYR 1198N 1.65 0.72 -0.08 6.00 3.20 -1.77 0.30 116.97 126.98 1twh h TYR 1198Ca -0.41 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.41 1twh h TYR 1198Cb 1.35 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.37 1twh h TYR 1198CO 0.44 0.45 -0.25 0.00 -1.64 0.00 0.00 178.16 177.16 1twh h ALA 1199N 1.64 1.43 -0.27 1.82 0.00 -1.88 0.62 119.26 122.62 1twh h ALA 1199Ca 0.22 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1twh h ALA 1199Cb -0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1twh h ALA 1199CO -0.05 0.41 0.05 0.00 0.00 0.00 0.00 179.25 179.66 1twh h ALA 1200N 1.61 0.36 -0.63 0.00 0.00 -0.77 0.32 119.26 120.16 1twh h ALA 1200Ca 0.02 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.82 1twh h ALA 1200Cb 0.52 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1twh h ALA 1200CO 0.04 0.04 0.31 -0.22 0.00 0.00 0.00 179.25 179.42 1twh h LYS 1201N 0.27 0.56 0.15 0.00 3.11 -0.21 -1.53 116.57 118.92 1twh h LYS 1201Ca 0.08 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.88 1twh h LYS 1201Cb 0.32 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.43 1twh h LYS 1201CO 0.00 0.37 -0.07 -0.07 -2.81 0.00 0.00 179.45 176.87 1twh h LEU 1202N 0.57 -0.18 -0.86 5.20 3.38 0.16 -0.84 115.31 122.75 1twh h LEU 1202Ca 0.29 -0.05 0.22 0.00 0.09 0.00 0.00 57.88 58.43 1twh h LEU 1202Cb 0.24 0.05 -0.15 0.00 0.09 0.00 0.00 40.66 40.89 1twh h LEU 1202CO -0.21 -0.07 0.07 0.25 0.09 0.00 0.00 178.44 178.57 1twh h LEU 1203N -0.27 -0.29 -0.27 1.67 5.85 -0.61 0.20 115.31 121.60 1twh h LEU 1203Ca -0.02 0.22 -0.10 0.00 0.84 0.00 0.00 57.88 58.82 1twh h LEU 1203Cb 0.21 0.37 -0.00 0.00 0.37 0.00 0.00 40.66 41.60 1twh h LEU 1203CO 0.03 -0.22 -0.23 -0.26 -0.34 0.00 0.00 178.44 177.43 1twh h PHE 1204N 0.11 0.74 -0.95 1.25 0.05 -1.22 -1.39 116.94 115.53 1twh h PHE 1204Ca 0.50 -0.21 0.02 0.00 3.82 0.00 0.00 57.97 62.10 1twh h PHE 1204Cb 0.97 -0.16 -0.05 0.00 2.00 0.00 0.00 35.95 38.71 1twh h PHE 1204CO -0.40 0.92 0.62 1.96 -0.18 0.00 0.00 178.31 181.23 1twh h GLN 1205N 0.35 1.20 -0.71 1.51 4.20 0.70 -0.69 115.11 121.68 1twh h GLN 1205Ca 0.05 -0.07 0.11 0.00 0.06 0.00 0.00 58.65 58.79 1twh h GLN 1205Cb 0.78 -0.27 -0.05 0.00 0.30 0.00 0.00 27.48 28.24 1twh h GLN 1205CO 0.06 0.80 0.47 0.93 -0.67 0.00 0.00 178.83 180.42 1twh h GLU 1206N 1.24 0.53 -0.05 1.46 5.08 -0.40 -1.15 114.58 121.29 1twh h GLU 1206Ca 0.36 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.55 1twh h GLU 1206Cb -0.07 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1twh h GLU 1206CO -0.10 0.35 -0.60 -0.07 -1.00 0.00 0.00 179.01 177.59 1twh h LEU 1207N 0.55 0.18 -0.64 1.33 3.38 -0.02 -2.39 115.31 117.69 1twh h LEU 1207Ca 0.33 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 1twh h LEU 1207Cb 0.56 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1twh h LEU 1207CO -0.11 0.74 0.33 0.24 0.09 0.00 0.00 178.44 179.72 1twh h MET 1208N 0.12 0.91 -0.84 1.13 2.86 -0.65 0.54 114.93 118.99 1twh h MET 1208Ca -0.01 -0.12 0.17 0.00 -2.06 0.00 0.00 59.70 57.68 1twh h MET 1208Cb 1.09 -0.17 -0.16 0.00 0.06 0.00 0.00 31.60 32.42 1twh h MET 1208CO 0.09 0.71 -0.21 0.00 1.06 0.00 0.00 176.91 178.56 1twh h ALA 1209N 1.15 0.56 -0.30 6.32 0.00 -1.10 0.80 119.26 126.70 1twh h ALA 1209Ca 0.22 0.33 -0.18 0.00 0.00 0.00 0.00 54.91 55.29 1twh h ALA 1209Cb 0.08 0.64 -0.09 0.00 0.00 0.00 0.00 17.79 18.42 1twh h ALA 1209CO -0.03 -0.40 0.23 -1.33 0.00 0.00 0.00 179.25 177.71 1twh n MET 1210N -5.54 1.43 -0.94 0.00 2.81 -0.91 -4.86 117.12 109.10 1twh n MET 1210Ca 0.12 -0.93 -0.03 0.00 -1.81 0.00 0.00 57.70 55.06 1twh n MET 1210Cb 0.43 -1.36 -0.01 0.00 -0.71 0.00 0.00 33.22 31.56 1twh n MET 1210CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1twh n ASN 1211N 0.37 -4.97 -4.77 7.83 2.85 0.28 -4.94 115.26 111.91 1twh n ASN 1211Ca 0.18 0.07 -0.37 0.00 -0.11 0.00 0.00 54.58 54.34 1twh n ASN 1211Cb 0.71 -3.19 -0.06 0.00 1.24 0.00 0.00 39.78 38.47 1twh n ASN 1211CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1twh s ILE 1212N -1.09 5.18 -0.41 -1.44 1.01 0.18 -4.98 121.20 119.65 1twh s ILE 1212Ca 0.00 0.77 -0.20 0.00 0.00 0.00 0.00 60.65 61.22 1twh s ILE 1212Cb 0.00 -3.71 0.02 0.00 0.01 0.00 0.00 42.46 38.78 1twh s ILE 1212CO 0.00 0.45 0.60 0.42 0.00 0.00 0.00 174.94 176.40 1twh s THR 1213N -0.09 4.90 -0.93 2.92 -4.23 -1.26 -2.54 115.64 114.41 1twh s THR 1213Ca 0.22 0.19 -0.13 0.00 -1.18 0.00 0.00 61.69 60.78 1twh s THR 1213Cb -0.15 -4.13 0.23 0.00 1.34 0.00 0.00 72.50 69.79 1twh s THR 1213CO 0.09 -0.47 0.91 -2.16 -0.54 0.00 0.00 174.62 172.46 1twh s PRO 1214N 2.66 3.78 -0.17 3.99 0.04 -1.26 -5.04 135.00 138.99 1twh s PRO 1214Ca 0.21 -2.61 -0.27 0.00 0.04 0.00 0.00 61.00 58.38 1twh s PRO 1214Cb -0.15 -4.53 -0.01 0.00 0.04 0.00 0.00 34.50 29.86 1twh s PRO 1214CO 0.17 -1.34 0.90 1.03 0.04 0.00 0.00 177.00 177.80 1twh s ARG 1215N 0.06 4.31 -0.49 4.56 0.52 -1.26 -4.85 118.95 121.79 1twh s ARG 1215Ca 0.23 1.13 -0.20 0.00 -0.52 0.00 0.00 55.73 56.37 1twh s ARG 1215Cb -0.09 -3.58 0.04 0.00 0.52 0.00 0.00 34.95 31.84 1twh s ARG 1215CO -0.08 -0.38 0.69 -0.51 0.02 0.00 0.00 175.30 175.03 1twh s LEU 1216N 2.33 4.67 -0.05 2.53 1.43 0.27 -4.80 118.68 125.06 1twh s LEU 1216Ca 0.41 -0.64 -0.14 0.00 -1.03 0.00 0.00 54.13 52.73 1twh s LEU 1216Cb -0.17 -2.60 -0.05 0.00 0.03 0.00 0.00 46.19 43.40 1twh s LEU 1216CO 0.12 -0.92 0.37 -0.31 0.23 0.00 0.00 176.35 175.84 1twh s TYR 1217N 2.92 3.66 -0.20 0.29 4.12 -1.26 -4.13 117.35 122.75 1twh s TYR 1217Ca 0.20 0.88 0.20 0.00 0.02 0.00 0.00 57.07 58.36 1twh s TYR 1217Cb -0.16 -2.28 -0.02 0.00 -1.52 0.00 0.00 41.96 37.98 1twh s TYR 1217CO 0.15 0.56 1.04 1.79 0.02 0.00 0.00 175.55 179.12 1twh h THR 1218N 3.96 0.28 -3.38 -0.71 1.35 -1.96 -3.46 112.91 108.99 1twh h THR 1218Ca -0.50 -1.51 -0.65 0.00 -0.55 0.00 0.00 66.41 63.21 1twh h THR 1218Cb 1.21 1.84 -0.20 0.00 -1.73 0.00 0.00 68.15 69.27 1twh h THR 1218CO 0.64 0.16 -0.67 1.51 -0.25 0.00 0.00 175.52 176.91 1twh s ASP 1219N -5.71 4.80 0.00 5.36 3.84 -1.26 -5.10 116.67 118.61 1twh s ASP 1219Ca -0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 52.55 52.47 1twh s ASP 1219Cb 0.09 -1.62 0.00 0.00 -1.38 0.00 0.00 42.92 40.00 1twh s ASP 1219CO 0.78 0.23 0.26 -1.14 -0.00 0.00 0.00 175.17 175.31 1twh n ARG 1220N 3.11 0.00 -0.09 2.11 0.63 -1.26 -4.50 116.66 116.66 1twh n ARG 1220Ca -0.18 0.18 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1twh n ARG 1220Cb 0.53 -0.87 0.00 0.00 0.45 0.00 0.00 32.46 32.57 1twh n ARG 1220CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1twh n SER 1221N -1.03 1.50 -0.41 6.15 3.41 -1.26 -4.94 113.62 117.04 1twh n SER 1221Ca 0.00 -1.10 0.00 0.00 -0.26 0.00 0.00 58.87 57.51 1twh n SER 1221Cb 0.00 -0.29 -0.00 0.00 -0.26 0.00 0.00 64.21 63.66 1twh n SER 1221CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1twh n ARG 1222N 1.29 -0.03 0.19 4.33 3.00 -1.26 -3.33 116.66 120.85 1twh n ARG 1222Ca 0.00 0.02 0.07 0.00 -0.01 0.00 0.00 57.85 57.93 1twh n ARG 1222Cb 0.18 -0.04 0.37 0.00 0.00 0.00 0.00 32.46 32.98 1twh n ARG 1222CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 1twh h ASP 1223N -0.01 0.00 0.00 0.55 3.32 -1.98 -3.52 116.42 114.77 1twh h ASP 1223Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1twh h ASP 1223Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1twh h ASP 1223CO 0.00 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.01